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README.md Normal file
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# Usage
Use
```console
python3 uniprot-api.py -t 150 -p 10
```
# Flags
`-t <number of entries>`: go through the first `<number of entries>` entries in the `rhea_unclassified_unique_ec4_candidates.tsv` file.
`-p <number of uniprot proteins`: limit results by number of uniprot proteins associated with a rhea id. If searching UniProt by a rhea ID yield more than `<number of uniprot proteins>` results, that rhea entry will be skipped.

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rhea_unclassified_unique_ec4_candidates.tsv Normal file
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rank rhea_master_id rhea_ids directions rhea_ecs predicted_ec4s predicted_ec3s hit_count hit_rule_count hit_rule_size_min hit_rule_size_max best_match_level_to_rhea_ec bucket top_mcsa_sog_ids top_mcsa_entries top_mcsa_ecs top_sog_sizes top_event_signatures expected_amino_acids_removed_catalyst expected_amino_acids_overlay expected_amino_acids_all_mcsa_entry top_sog_reactions example_rhea_smiles
1 62920 62921; 62922 LR; RL 4.2.1.46 4.2.1 8 8 11 13 unclassified_unique_ec4 MCSA_228_1_0; MCSA_228_1_2; MCSA_228_2_0; MCSA_228_2_2; MCSA_228_1_1 228 4.2.1.46 13; 11 chg:C~O:->=,del:C~O:- Asp135; Glu136; Tyr160 Asp135; Glu136; Tyr160 Asp135; Glu136; Lys164; Thr134; Tyr160 dTDP-alpha-D-glucose(2-) -> water + dTDP-4-dehydro-6-deoxy-alpha-D-glucose(2-) [H][C@@]12CC[C@]([H])([C@H](C)CCCC(C)(C)O)[C@@]1(C)CCC/C2=C\C=C1\C[C@@H](O)[C@@H](OC(O)CCO)[C@H](O)C1=C>>[H][C@@]12CC[C@]([H])([C@H](C)CCCC(C)(C)O)[C@@]1(C)CCC/C2=C\C=C1\C[C@@H](O)[C@@H](O)[C@H](O)C1=C.[H]C(=O)CCO
2 17457 17458; 17459 LR; RL 2.8.1.7 2.8.1 1 1 12 12 unclassified_unique_ec4 MCSA_855_1_1 855 2.8.1.7 12 add:S~S:-,del:C~S:- His123; Lys226 Cys364; His123; Lys226 Asp200; Cys364; Gln203; His123; Lys226 L-cysteine zwitterion + L-cysteine residue -> L-alanine zwitterion + 3-disulfanyl-L-alanine residue *N[C@@H](CS)C(*)=O.[NH3+][C@@H](CS)C(=O)[O-]>>*N[C@@H](CSS)C(*)=O.C[C@H]([NH3+])C(=O)[O-]
3 78543 78544; 78545 LR; RL 2.8.1.7 2.8.1 1 1 12 12 unclassified_unique_ec4 MCSA_855_1_1 855 2.8.1.7 12 add:S~S:-,del:C~S:- His123; Lys226 Cys364; His123; Lys226 Asp200; Cys364; Gln203; His123; Lys226 L-cysteine zwitterion + L-cysteine residue -> L-alanine zwitterion + 3-disulfanyl-L-alanine residue [NH3+][C@@H](CS)C(=O)[O-].[NH3+][C@@H](CS)C(=O)[O-]>>[NH3+][C@@H](CSS)C(=O)[O-].C[C@H]([NH3+])C(=O)[O-]
4 78627 78628; 78629 LR; RL 2.8.1.7 2.8.1 1 1 12 12 unclassified_unique_ec4 MCSA_855_1_1 855 2.8.1.7 12 add:S~S:-,del:C~S:- His123; Lys226 Cys364; His123; Lys226 Asp200; Cys364; Gln203; His123; Lys226 L-cysteine zwitterion + L-cysteine residue -> L-alanine zwitterion + 3-disulfanyl-L-alanine residue [NH3+][C@@H](CSS)C(=O)[O-].[NH3+][C@@H](CS)C(=O)[O-]>>[NH3+][C@@H](CSSS)C(=O)[O-].C[C@H]([NH3+])C(=O)[O-]
5 31247 31248; 31249 LR; RL 1.1.2.10 1.1.2 3 3 12 12 unclassified_unique_ec4 MCSA_997_1_0; MCSA_997_2_0; MCSA_997_3_0 997 1.1.2.10 12 chg:C~C:->=,chg:C~O:->=,chg:C~O:=>-,chg:C~O:=>- Asn256; Asp299; Asp301; Glu172 Asn256; Asp299; Asp301; Glu172 Asn256; Asp299; Asp301; Glu172 methanol + pyrroloquinoline quinone -> formaldehyde + pyrroloquinoline quinol C#CCO.O=C([O-])C1=CC2=C(N1)C1=C(\N=C(C(=O)[O-])\C=C/1C(=O)[O-])C(=O)C2=O>>C#CC=O.O=C([O-])C1=CC2=C(N1)C1=C(N=C(C(=O)[O-])C=C1C(=O)[O-])/C([O-])=C\2O.[H+]
6 31263 31264; 31265 LR; RL 1.1.2.10 1.1.2 3 3 12 12 unclassified_unique_ec4 MCSA_997_1_0; MCSA_997_2_0; MCSA_997_3_0 997 1.1.2.10 12 chg:C~C:->=,chg:C~O:->=,chg:C~O:=>-,chg:C~O:=>- Asn256; Asp299; Asp301; Glu172 Asn256; Asp299; Asp301; Glu172 Asn256; Asp299; Asp301; Glu172 methanol + pyrroloquinoline quinone -> formaldehyde + pyrroloquinoline quinol C#CCCO.O=C([O-])C1=CC2=C(N1)C1=C(\N=C(C(=O)[O-])\C=C/1C(=O)[O-])C(=O)C2=O>>[H]C(=O)CC#C.O=C([O-])C1=CC2=C(N1)C1=C(N=C(C(=O)[O-])C=C1C(=O)[O-])/C([O-])=C\2O.[H+]
7 28058 28059; 28060 LR; RL 5.3.1.14 5.3.1 2 2 10 11 unclassified_unique_ec4 MCSA_488_2_0; MCSA_488_1_2 488 5.3.1.14 11; 10 chg:C~O:->=,del:C~O:- Asp267; Asp302; Asp304; Asp334; Glu234; His270; His294 Asp267; Asp302; Asp304; Asp334; Glu234; His270; His294 Asp267; Asp302; Asp304; Asp334; Glu234; His270; His294; Lys236; Trp193 L-rhamnopyranose -> L-rhamnulose OC1OC[C@H](O)[C@@H](O)[C@H]1O>>O=C(CO)[C@H](O)[C@@H](O)CO
8 61296 61297; 61298 LR; RL 5.3.1.14 5.3.1 2 2 10 11 unclassified_unique_ec4 MCSA_488_2_0; MCSA_488_1_2 488 5.3.1.14 11; 10 chg:C~O:->=,del:C~O:- Asp267; Asp302; Asp304; Asp334; Glu234; His270; His294 Asp267; Asp302; Asp304; Asp334; Glu234; His270; His294 Asp267; Asp302; Asp304; Asp334; Glu234; His270; His294; Lys236; Trp193 L-rhamnopyranose -> L-rhamnulose C[C@H]1O[C@H](OP(=O)([O-])[O-])[C@H](O)[C@@H]1O>>C[C@@H](O)[C@@H](O)C(=O)COP(=O)([O-])[O-]
9 71251 71252; 71253 LR; RL 5.3.1.14 5.3.1 2 2 10 11 unclassified_unique_ec4 MCSA_488_2_0; MCSA_488_1_2 488 5.3.1.14 11; 10 chg:C~O:->=,del:C~O:- Asp267; Asp302; Asp304; Asp334; Glu234; His270; His294 Asp267; Asp302; Asp304; Asp334; Glu234; His270; His294 Asp267; Asp302; Asp304; Asp334; Glu234; His270; His294; Lys236; Trp193 L-rhamnopyranose -> L-rhamnulose OC1OC[C@H](O)[C@@H](O)[C@@H]1O>>O=C(CO)[C@H](O)[C@@H](O)CO
10 28002 28003; 28004 LR; RL 4.1.2.13 4.1.2 3 3 11 11 unclassified_unique_ec4 MCSA_222_1_0; MCSA_222_1_40; MCSA_52_1_0 222; 52 4.1.2.13 11 add:C~C:-,add:C~O:-,chg:C~O:=>-,chg:C~O:=>- Glu187; Lys229; Tyr363; Asp109; Glu182; His110; His226; His264 Glu187; Lys229; Tyr363; Asp109; Glu182; His110; His226; His264 Asp33; Glu187; Glu189; Lys146; Lys229; Ser300; Tyr363; Asn286; Asp109; Glu182; His110; His226; His264 D-glyceraldehyde 3-phosphate(2-) + glycerone phosphate(2-) -> D-fructofuranose 1,6-bisphosphate(4-) O=C(CO)CO.[H]C(=O)[C@H](O)COP(=O)([O-])[O-]>>O=P([O-])([O-])OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O
11 30851 30852; 30853 LR; RL 4.1.2.13 4.1.2 3 3 11 11 unclassified_unique_ec4 MCSA_222_1_0; MCSA_222_1_40; MCSA_52_1_0 222; 52 4.1.2.13 11 add:C~C:-,add:C~O:-,chg:C~O:=>-,chg:C~O:=>- Glu187; Lys229; Tyr363; Asp109; Glu182; His110; His226; His264 Glu187; Lys229; Tyr363; Asp109; Glu182; His110; His226; His264 Asp33; Glu187; Glu189; Lys146; Lys229; Ser300; Tyr363; Asn286; Asp109; Glu182; His110; His226; His264 D-glyceraldehyde 3-phosphate(2-) + glycerone phosphate(2-) -> D-fructofuranose 1,6-bisphosphate(4-) [H]C(=O)[C@H](O)CO.O=C(CO)COP(=O)([O-])[O-]>>O=P([O-])([O-])OC[C@@]1(O)O[C@H](CO)[C@@H](O)[C@@H]1O
12 46328 46329; 46330 LR; RL 4.3.1.17 4.3.1 10 10 9 11 unclassified_unique_ec4 MCSA_186_1_0; MCSA_186_1_1; MCSA_956_1_2; MCSA_956_1_3; MCSA_956_2_2 186; 956 4.3.1.17 11; 10 add:C~O:=,del:C~N:-,del:C~O:- Lys41; Lys57 Lys41; Lys57 Ala222; Cys303; Lys41; Asp214; Glu208; Gly212; Lys57; Ser308; Ser82 L-serine zwitterion -> pyruvate + ammonium; L-serine zwitterion -> ammonium + pyruvate [NH3+][C@H](C(=O)[O-])[C@@H](O)C1=CC=CC=C1>>O=C([O-])C(=O)CC1=CC=CC=C1.[H][N+]([H])([H])[H]
13 58616 58617; 58618 LR; RL 4.3.1.17 4.3.1 10 10 9 11 unclassified_unique_ec4 MCSA_186_1_0; MCSA_186_1_1; MCSA_956_1_2; MCSA_956_1_3; MCSA_956_2_2 186; 956 4.3.1.17 11; 10 add:C~O:=,del:C~N:-,del:C~O:- Lys41; Lys57 Lys41; Lys57 Ala222; Cys303; Lys41; Asp214; Glu208; Gly212; Lys57; Ser308; Ser82 L-serine zwitterion -> pyruvate + ammonium; L-serine zwitterion -> ammonium + pyruvate CCCCCCCC(=O)N[C@@H](O)C(=O)[O-]>>CCCCCCCC(N)=O.[H]C(=O)C(=O)[O-]
14 58620 58621; 58622 LR; RL 4.3.1.17 4.3.1 10 10 9 11 unclassified_unique_ec4 MCSA_186_1_0; MCSA_186_1_1; MCSA_956_1_2; MCSA_956_1_3; MCSA_956_2_2 186; 956 4.3.1.17 11; 10 add:C~O:=,del:C~N:-,del:C~O:- Lys41; Lys57 Lys41; Lys57 Ala222; Cys303; Lys41; Asp214; Glu208; Gly212; Lys57; Ser308; Ser82 L-serine zwitterion -> pyruvate + ammonium; L-serine zwitterion -> ammonium + pyruvate CCCCCCCCCC(=O)N[C@@H](O)C(=O)[O-]>>CCCCCCCCCC(N)=O.[H]C(=O)C(=O)[O-]
15 58624 58625; 58626 LR; RL 4.3.1.17 4.3.1 10 10 9 11 unclassified_unique_ec4 MCSA_186_1_0; MCSA_186_1_1; MCSA_956_1_2; MCSA_956_1_3; MCSA_956_2_2 186; 956 4.3.1.17 11; 10 add:C~O:=,del:C~N:-,del:C~O:- Lys41; Lys57 Lys41; Lys57 Ala222; Cys303; Lys41; Asp214; Glu208; Gly212; Lys57; Ser308; Ser82 L-serine zwitterion -> pyruvate + ammonium; L-serine zwitterion -> ammonium + pyruvate CCCCCCCCCCCC(=O)N[C@@H](O)C(=O)[O-]>>CCCCCCCCCCCC(N)=O.[H]C(=O)C(=O)[O-]
16 58632 58633; 58634 LR; RL 4.3.1.17 4.3.1 10 10 9 11 unclassified_unique_ec4 MCSA_186_1_0; MCSA_186_1_1; MCSA_956_1_2; MCSA_956_1_3; MCSA_956_2_2 186; 956 4.3.1.17 11; 10 add:C~O:=,del:C~N:-,del:C~O:- Lys41; Lys57 Lys41; Lys57 Ala222; Cys303; Lys41; Asp214; Glu208; Gly212; Lys57; Ser308; Ser82 L-serine zwitterion -> pyruvate + ammonium; L-serine zwitterion -> ammonium + pyruvate CCCCCCCCCCCCCC(=O)N[C@@H](O)C(=O)[O-]>>CCCCCCCCCCCCCC(N)=O.[H]C(=O)C(=O)[O-]
17 58636 58637; 58638 LR; RL 4.3.1.17 4.3.1 10 10 9 11 unclassified_unique_ec4 MCSA_186_1_0; MCSA_186_1_1; MCSA_956_1_2; MCSA_956_1_3; MCSA_956_2_2 186; 956 4.3.1.17 11; 10 add:C~O:=,del:C~N:-,del:C~O:- Lys41; Lys57 Lys41; Lys57 Ala222; Cys303; Lys41; Asp214; Glu208; Gly212; Lys57; Ser308; Ser82 L-serine zwitterion -> pyruvate + ammonium; L-serine zwitterion -> ammonium + pyruvate CCCCCCCC/C=C\CCCCCCCC(=O)N[C@@H](O)C(=O)[O-]>>CCCCCCCC/C=C\CCCCCCCC(N)=O.[H]C(=O)C(=O)[O-]
18 58644 58645; 58646 LR; RL 4.3.1.17 4.3.1 10 10 9 11 unclassified_unique_ec4 MCSA_186_1_0; MCSA_186_1_1; MCSA_956_1_2; MCSA_956_1_3; MCSA_956_2_2 186; 956 4.3.1.17 11; 10 add:C~O:=,del:C~N:-,del:C~O:- Lys41; Lys57 Lys41; Lys57 Ala222; Cys303; Lys41; Asp214; Glu208; Gly212; Lys57; Ser308; Ser82 L-serine zwitterion -> pyruvate + ammonium; L-serine zwitterion -> ammonium + pyruvate CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)N[C@@H](O)C(=O)[O-]>>CC/C=C\C/C=C\C/C=C\CCCCCCCC(N)=O.[H]C(=O)C(=O)[O-]
19 74855 74856; 74857 LR; RL 4.3.3.2 4.3.3 1 1 10 10 unclassified_unique_ec4 MCSA_360_2_0 360 4.3.3.2 10 add:C~C:-,add:C~N:-,del:C~O:= Glu309 Glu309 Glu309 tryptaminium + (-)-secologanin -> water + 3alpha(S)-strictosidinium(1+) [NH3+]CCC1=CC=C(O)C(O)=C1.CC(=O)C(=O)[O-]>>C[C@@]1(C(=O)[O-])[NH2+]CCC2=C1C=C(O)C(O)=C2.[H]O[H]
20 74859 74860; 74861 LR; RL 4.3.3.2 4.3.3 1 1 10 10 unclassified_unique_ec4 MCSA_360_2_0 360 4.3.3.2 10 add:C~C:-,add:C~N:-,del:C~O:= Glu309 Glu309 Glu309 tryptaminium + (-)-secologanin -> water + 3alpha(S)-strictosidinium(1+) [NH3+]CCC1=CC=C(O)C(O)=C1.[H]C([H])=O>>OC1=CC2=C(C=C1O)C[NH2+]CC2.[H]O[H]
21 27994 27995; 27996 LR; RL 3.2.2.29 3.2.2 1 1 9 9 unclassified_unique_ec4 MCSA_834_2_1 834 3.2.2.29 9 add:C~O:-,del:C~N:- His151 His151 Asn140; His151 water + 2'-deoxyuridine -> uracil + 2-deoxy-D-ribofuranose O=C1NC(=O)C2=C(N1)N([C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C=N2.[H]O[H]>>OC[C@H]1OC(O)[C@H](O)[C@@H]1O.O=C1NC(=O)C2=C(NC=N2)N1
22 30771 30772; 30773 LR; RL 3.2.2.29 3.2.2 1 1 9 9 unclassified_unique_ec4 MCSA_834_2_1 834 3.2.2.29 9 add:C~O:-,del:C~N:- His151 His151 Asn140; His151 water + 2'-deoxyuridine -> uracil + 2-deoxy-D-ribofuranose NC1=NC2=C(N=CN2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C(=O)N1.[H]O[H]>>NC1=NC2=C(N=CN2)C(=O)N1.OC[C@H]1OC(O)[C@H](O)[C@@H]1O
23 31135 31136; 31137 LR; RL 3.2.2.29 3.2.2 1 1 9 9 unclassified_unique_ec4 MCSA_834_2_1 834 3.2.2.29 9 add:C~O:-,del:C~N:- His151 His151 Asn140; His151 water + 2'-deoxyuridine -> uracil + 2-deoxy-D-ribofuranose [H][C@]1(COP(=O)([O-])[O-])O[C@@]([H])(N2C=NC(C(N)=O)=C2N)[C@H](O)[C@@H]1O.O=P([O-])([O-])OP(=O)([O-])O>>NC(=O)C1=C(N)NC=N1.O=P([O-])([O-])OC[C@H]1O[C@H](OP(=O)([O-])OP(=O)([O-])[O-])[C@H](O)[C@@H]1O
24 49508 49509; 49510 LR; RL 4.2.1.59 4.2.1 1 1 9 9 unclassified_unique_ec4 MCSA_10_1_0 10 4.2.1.59 9 chg:C~C:->=,del:C~O:- Asp84; His70 Asp84; His70 Asp84; Cys80; Gly79; His70; Val76 (R)-3-hydroxydecanoyl-ACP -> water + 3-Decanoyl-[acyl-carrier protein] [H]P(=O)([O-])CC(O)(CC(=O)[O-])C(=O)[O-]>>O=C([O-])C/C(=C/[PH](=O)[O-])C(=O)[O-].[H]O[H]
25 52708 52709; 52710 LR; RL 3.2.2.29 3.2.2 1 1 9 9 unclassified_unique_ec4 MCSA_834_2_1 834 3.2.2.29 9 add:C~O:-,del:C~N:- His151 His151 Asn140; His151 water + 2'-deoxyuridine -> uracil + 2-deoxy-D-ribofuranose NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)C(=O)N1.[H]O[H]>>NC1=NC2=C(N=CN2)C(=O)N1.O=P([O-])([O-])OC[C@H]1OC(O)[C@H](O)[C@@H]1O
26 55020 55021; 55022 LR; RL 3.2.2.29 3.2.2 1 1 9 9 unclassified_unique_ec4 MCSA_834_2_1 834 3.2.2.29 9 add:C~O:-,del:C~N:- His151 His151 Asn140; His151 water + 2'-deoxyuridine -> uracil + 2-deoxy-D-ribofuranose NC1=C(N[C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)NC(=O)NC1=O.[H]O[H]>>NC1=C(N)C(=O)NC(=O)N1.O=P([O-])([O-])OC[C@H]1OC(O)[C@H](O)[C@@H]1O
27 57816 57817; 57818 LR; RL 3.2.2.29 3.2.2 1 1 9 9 unclassified_unique_ec4 MCSA_834_2_1 834 3.2.2.29 9 add:C~O:-,del:C~N:- His151 His151 Asn140; His151 water + 2'-deoxyuridine -> uracil + 2-deoxy-D-ribofuranose NC1=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](COP(=O)([O-])[O-])O2)C(=O)N1.[H]O[H]>>O=P([O-])([O-])OC[C@H]1OC(O)C[C@@H]1O.NC1=NC2=C(N=CN2)C(=O)N1
28 75387 75388; 75389 LR; RL 3.2.2.29 3.2.2 1 1 9 9 unclassified_unique_ec4 MCSA_834_2_1 834 3.2.2.29 9 add:C~O:-,del:C~N:- His151 His151 Asn140; His151 water + 2'-deoxyuridine -> uracil + 2-deoxy-D-ribofuranose NC1=NC2=C(C(=O)N1)C(CN[C@H]1C=C[C@H](O)[C@@H]1O)=CN2[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O.[H]O[H]>>NC1=NC2=C(C(=O)N1)C(CN[C@H]1C=C[C@H](O)[C@@H]1O)=CN2.O=P([O-])([O-])OC[C@H]1OC(O)[C@H](O)[C@@H]1O
29 83619 83620; 83621 LR; RL 3.2.2.29 3.2.2 1 1 9 9 unclassified_unique_ec4 MCSA_834_2_1 834 3.2.2.29 9 add:C~O:-,del:C~N:- His151 His151 Asn140; His151 water + 2'-deoxyuridine -> uracil + 2-deoxy-D-ribofuranose *O[C@H]1C[C@H](N2C=NC3=C2N=C2NC=CN2C3=O)O[C@@H]1COP(*)(=O)[O-].[H]O[H]>>O=C1C2=C(N=C3NC=CN13)NC=N2.*O[C@H]1CC(O)O[C@@H]1COP(*)(=O)[O-]
30 83623 83624; 83625 LR; RL 3.2.2.29 3.2.2 1 1 9 9 unclassified_unique_ec4 MCSA_834_2_1 834 3.2.2.29 9 add:C~O:-,del:C~N:- His151 His151 Asn140; His151 water + 2'-deoxyuridine -> uracil + 2-deoxy-D-ribofuranose *O[C@H]1C[C@H](N2C=NC3=C2N2C=CN=C2NC3=O)O[C@@H]1COP(*)(=O)[O-].[H]O[H]>>O=C1N/C2=N/C=C\N2C2=C1N=CN2.*O[C@H]1CC(O)O[C@@H]1COP(*)(=O)[O-]
31 28430 28431; 28432 LR; RL 5.3.1.1 5.3.1 4 2 9 9 unclassified_unique_ec4 MCSA_324_1_0; MCSA_324_2_0 324 5.3.1.1 9 chg:C~O:->=,chg:C~O:=>- Glu165; His95; Glu97; Lys13 Glu165; His95; Glu97; Lys13 Asn11; Glu165; Glu97; Gly171; His95; Lys13; Ser211 glycerone phosphate(2-) -> D-glyceraldehyde 3-phosphate(2-) [H]C(=O)[C@H](O)[C@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-]>>O=C(CO)[C@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-]
32 53180 53181; 53182 LR; RL 5.3.1.1 5.3.1 4 2 9 9 unclassified_unique_ec4 MCSA_324_1_0; MCSA_324_2_0 324 5.3.1.1 9 chg:C~O:->=,chg:C~O:=>- Glu165; His95; Glu97; Lys13 Glu165; His95; Glu97; Lys13 Asn11; Glu165; Glu97; Gly171; His95; Lys13; Ser211 glycerone phosphate(2-) -> D-glyceraldehyde 3-phosphate(2-) O=C[C@H](O)[C@H](O)CO>>O=C(CO)[C@H](O)CO
33 53280 53281; 53282 LR; RL 5.3.1.1 5.3.1 4 2 9 9 unclassified_unique_ec4 MCSA_324_1_0; MCSA_324_2_0 324 5.3.1.1 9 chg:C~O:->=,chg:C~O:=>- Glu165; His95; Glu97; Lys13 Glu165; His95; Glu97; Lys13 Asn11; Glu165; Glu97; Gly171; His95; Lys13; Ser211 glycerone phosphate(2-) -> D-glyceraldehyde 3-phosphate(2-) [H]C(=O)[C@@H](O)[C@H](O)CO>>O=C(CO)[C@H](O)CO
34 24935 24936; 24937 LR; RL 3.2.2.1 3.2.2 1 1 8 8 unclassified_unique_ec4 MCSA_39_1_0 39 3.2.2.1 8 add:C~O:-,chg:C~N:->=,chg:C~N:=>-,del:C~N:- Asn39; Asp10; Asp15; Asp242; His241; Thr126 Asn39; Asp10; Asp15; Asp242; His241; Thr126 Asn168; Asn39; Asp10; Asp15; Asp242; His241; Phe167; Thr126 nebularine + water -> 7H-purine + D-ribofuranose O=C1CN=CN1.[H]O[H]>>[NH2+]=CNCC(=O)[O-]
35 25452 25453; 25454 LR; RL 2.5.1.10 2.5.1 1 1 8 8 unclassified_unique_ec4 MCSA_253_1_0 253 2.5.1.10 8 add:C~C:-,chg:C~C:->=,chg:C~C:=>-,del:C~O:- Asp117; Asp121; Asp257 Asp117; Asp121; Asp257 Arg126; Asp117; Asp121; Asp188; Asp257; Asp258; Lys214; Lys71; Phe112; Phe253 isopentenyl diphosphate(3-) + geranyl diphosphate(3-) -> diphosphate(3-) + 2-trans,6-trans-farnesyl diphosphate(3-) CC(C)=CCC/C(C)=C/CC/C(C)=C/COP(=O)([O-])OP(=O)([O-])[O-]>>C=C(C)C1C/C=C(\C)CC/C=C(\C)CC1.O=P([O-])([O-])OP(=O)([O-])O
36 27866 27867; 27868 LR; RL 3.2.1.114 3.2.1 1 1 8 8 unclassified_unique_ec4 MCSA_793_1_0 793 3.2.1.114 8 add:C~O:-,add:C~O:-,del:C~O:-,del:C~O:- Asp204; Asp341; Asp92; His471; His90 Asp204; Asp341; Asp92; His471; His90 Asp204; Asp341; Asp92; His471; His90 alpha-D-Manp-(1->3)-alpha-D-Manp-(1->2)-alpha-D-Manp + 2 water -> alpha-D-mannose + 2 alpha-D-mannose O=P([O-])([O-])OC[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O.O=C([O-])[C@H](O)CO>>O=C([O-])[C@@H](CO)O[C@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H](O)[C@@H]1O.[H]O[H]
37 31279 31280; 31281 LR; RL 2.5.1.10 2.5.1 1 1 8 8 unclassified_unique_ec4 MCSA_253_1_0 253 2.5.1.10 8 add:C~C:-,chg:C~C:->=,chg:C~C:=>-,del:C~O:- Asp117; Asp121; Asp257 Asp117; Asp121; Asp257 Arg126; Asp117; Asp121; Asp188; Asp257; Asp258; Lys214; Lys71; Phe112; Phe253 isopentenyl diphosphate(3-) + geranyl diphosphate(3-) -> diphosphate(3-) + 2-trans,6-trans-farnesyl diphosphate(3-) C=C(C)CCOP(=O)([O-])OP(=O)([O-])[O-].CC(C)=CCC/C(C)=C/CC/C(C)=C/COP(=O)([O-])OP(=O)([O-])[O-]>>CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C\COP(=O)([O-])OP(=O)([O-])[O-].O=P([O-])([O-])OP(=O)([O-])O
38 32975 32976; 32977 LR; RL 3.2.1.114 3.2.1 1 1 8 8 unclassified_unique_ec4 MCSA_793_1_0 793 3.2.1.114 8 add:C~O:-,add:C~O:-,del:C~O:-,del:C~O:- Asp204; Asp341; Asp92; His471; His90 Asp204; Asp341; Asp92; His471; His90 Asp204; Asp341; Asp92; His471; His90 alpha-D-Manp-(1->3)-alpha-D-Manp-(1->2)-alpha-D-Manp + 2 water -> alpha-D-mannose + 2 alpha-D-mannose *C(=O)OC[C@H](COP(=O)([O-])OC[C@H]([NH3+])C(=O)[O-])OC(*)=O.[H]O[H].[H]O[H]>>[NH3+][C@@H](COP(=O)([O-])OC[C@H](O)CO)C(=O)[O-].[1*]C(=O)[O-].[1*]C(=O)[O-].[H+].[H+]
39 32983 32984; 32985 LR; RL 3.2.1.114 3.2.1 1 1 8 8 unclassified_unique_ec4 MCSA_793_1_0 793 3.2.1.114 8 add:C~O:-,add:C~O:-,del:C~O:-,del:C~O:- Asp204; Asp341; Asp92; His471; His90 Asp204; Asp341; Asp92; His471; His90 Asp204; Asp341; Asp92; His471; His90 alpha-D-Manp-(1->3)-alpha-D-Manp-(1->2)-alpha-D-Manp + 2 water -> alpha-D-mannose + 2 alpha-D-mannose *C(=O)OC[C@H](COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O)OC(*)=O.[H]O[H].[H]O[H]>>O=P([O-])(OC[C@H](O)CO)O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O.[1*]C(=O)[O-].[1*]C(=O)[O-].[H+].[H+]
40 64572 64573; 64574 LR; RL 2.5.1.10 2.5.1 1 1 8 8 unclassified_unique_ec4 MCSA_253_1_0 253 2.5.1.10 8 add:C~C:-,chg:C~C:->=,chg:C~C:=>-,del:C~O:- Asp117; Asp121; Asp257 Asp117; Asp121; Asp257 Arg126; Asp117; Asp121; Asp188; Asp257; Asp258; Lys214; Lys71; Phe112; Phe253 isopentenyl diphosphate(3-) + geranyl diphosphate(3-) -> diphosphate(3-) + 2-trans,6-trans-farnesyl diphosphate(3-) CC(C)=CCC/C(C)=C\COP(=O)([O-])OP(=O)([O-])[O-].C=C(C)CCOP(=O)([O-])OP(=O)([O-])[O-]>>CC(C)=CCC/C(C)=C\CC/C(C)=C\COP(=O)([O-])OP(=O)([O-])[O-].O=P([O-])([O-])OP(=O)([O-])O
41 64580 64581; 64582 LR; RL 2.5.1.10 2.5.1 1 1 8 8 unclassified_unique_ec4 MCSA_253_1_0 253 2.5.1.10 8 add:C~C:-,chg:C~C:->=,chg:C~C:=>-,del:C~O:- Asp117; Asp121; Asp257 Asp117; Asp121; Asp257 Arg126; Asp117; Asp121; Asp188; Asp257; Asp258; Lys214; Lys71; Phe112; Phe253 isopentenyl diphosphate(3-) + geranyl diphosphate(3-) -> diphosphate(3-) + 2-trans,6-trans-farnesyl diphosphate(3-) CC(C)=CCC/C(C)=C\CC/C(C)=C\COP(=O)([O-])OP(=O)([O-])[O-].C=C(C)CCOP(=O)([O-])OP(=O)([O-])[O-]>>CC(C)=CCC/C(C)=C\CC/C(C)=C\CC/C(C)=C\COP(=O)([O-])OP(=O)([O-])[O-].O=P([O-])([O-])OP(=O)([O-])O
42 68472 68473; 68474 LR; RL 2.5.1.10 2.5.1 1 1 8 8 unclassified_unique_ec4 MCSA_253_1_0 253 2.5.1.10 8 add:C~C:-,chg:C~C:->=,chg:C~C:=>-,del:C~O:- Asp117; Asp121; Asp257 Asp117; Asp121; Asp257 Arg126; Asp117; Asp121; Asp188; Asp257; Asp258; Lys214; Lys71; Phe112; Phe253 isopentenyl diphosphate(3-) + geranyl diphosphate(3-) -> diphosphate(3-) + 2-trans,6-trans-farnesyl diphosphate(3-) CC(C)=CCC/C(C)=C\CC/C(C)=C\COP(=O)([O-])OP(=O)([O-])[O-]>>CC(C)=CC/C=C(\C)C1CC=C(C)CC1.O=P([O-])([O-])OP(=O)([O-])O
43 68524 68525; 68526 LR; RL 2.5.1.10 2.5.1 1 1 8 8 unclassified_unique_ec4 MCSA_253_1_0 253 2.5.1.10 8 add:C~C:-,chg:C~C:->=,chg:C~C:=>-,del:C~O:- Asp117; Asp121; Asp257 Asp117; Asp121; Asp257 Arg126; Asp117; Asp121; Asp188; Asp257; Asp258; Lys214; Lys71; Phe112; Phe253 isopentenyl diphosphate(3-) + geranyl diphosphate(3-) -> diphosphate(3-) + 2-trans,6-trans-farnesyl diphosphate(3-) CC(C)=CCC/C(C)=C\CC/C(C)=C\COP(=O)([O-])OP(=O)([O-])[O-]>>C=C(CCC=C(C)C)C1CC=C(C)CC1.O=P([O-])([O-])OP(=O)([O-])O
44 68528 68529; 68530 LR; RL 2.5.1.10 2.5.1 1 1 8 8 unclassified_unique_ec4 MCSA_253_1_0 253 2.5.1.10 8 add:C~C:-,chg:C~C:->=,chg:C~C:=>-,del:C~O:- Asp117; Asp121; Asp257 Asp117; Asp121; Asp257 Arg126; Asp117; Asp121; Asp188; Asp257; Asp258; Lys214; Lys71; Phe112; Phe253 isopentenyl diphosphate(3-) + geranyl diphosphate(3-) -> diphosphate(3-) + 2-trans,6-trans-farnesyl diphosphate(3-) CC(C)=CCC/C(C)=C/CC/C(C)=C/COP(=O)([O-])OP(=O)([O-])[O-]>>C=C(CCC=C(C)C)C1CC=C(C)CC1.O=P([O-])([O-])OP(=O)([O-])O
45 68532 68533; 68534 LR; RL 2.5.1.10 2.5.1 1 1 8 8 unclassified_unique_ec4 MCSA_253_1_0 253 2.5.1.10 8 add:C~C:-,chg:C~C:->=,chg:C~C:=>-,del:C~O:- Asp117; Asp121; Asp257 Asp117; Asp121; Asp257 Arg126; Asp117; Asp121; Asp188; Asp257; Asp258; Lys214; Lys71; Phe112; Phe253 isopentenyl diphosphate(3-) + geranyl diphosphate(3-) -> diphosphate(3-) + 2-trans,6-trans-farnesyl diphosphate(3-) CC(C)=CCC/C(C)=C/CC/C(C)=C/COP(=O)([O-])OP(=O)([O-])[O-]>>CC(C)=CC/C=C(/C)C1CC=C(C)CC1.O=P([O-])([O-])OP(=O)([O-])O
46 68640 68641; 68642 LR; RL 2.5.1.10 2.5.1 1 1 8 8 unclassified_unique_ec4 MCSA_253_1_0 253 2.5.1.10 8 add:C~C:-,chg:C~C:->=,chg:C~C:=>-,del:C~O:- Asp117; Asp121; Asp257 Asp117; Asp121; Asp257 Arg126; Asp117; Asp121; Asp188; Asp257; Asp258; Lys214; Lys71; Phe112; Phe253 isopentenyl diphosphate(3-) + geranyl diphosphate(3-) -> diphosphate(3-) + 2-trans,6-trans-farnesyl diphosphate(3-) CC(C)=CCC/C(C)=C/COP(=O)([O-])OP(=O)([O-])[O-]>>C=C(C)C1CC=C(C)CC1.O=P([O-])([O-])OP(=O)([O-])O
47 68776 68777; 68778 LR; RL 2.5.1.10 2.5.1 1 1 8 8 unclassified_unique_ec4 MCSA_253_1_0 253 2.5.1.10 8 add:C~C:-,chg:C~C:->=,chg:C~C:=>-,del:C~O:- Asp117; Asp121; Asp257 Asp117; Asp121; Asp257 Arg126; Asp117; Asp121; Asp188; Asp257; Asp258; Lys214; Lys71; Phe112; Phe253 isopentenyl diphosphate(3-) + geranyl diphosphate(3-) -> diphosphate(3-) + 2-trans,6-trans-farnesyl diphosphate(3-) CC(C)=CCC/C(C)=C\CC/C(C)=C\COP(=O)([O-])OP(=O)([O-])[O-]>>C=C(C)C1C/C=C(\C)CC/C=C(\C)CC1.O=P([O-])([O-])OP(=O)([O-])O
48 68780 68781; 68782 LR; RL 2.5.1.10 2.5.1 1 1 8 8 unclassified_unique_ec4 MCSA_253_1_0 253 2.5.1.10 8 add:C~C:-,chg:C~C:->=,chg:C~C:=>-,del:C~O:- Asp117; Asp121; Asp257 Asp117; Asp121; Asp257 Arg126; Asp117; Asp121; Asp188; Asp257; Asp258; Lys214; Lys71; Phe112; Phe253 isopentenyl diphosphate(3-) + geranyl diphosphate(3-) -> diphosphate(3-) + 2-trans,6-trans-farnesyl diphosphate(3-) CC(C)=CCC/C(C)=C\CC/C(C)=C\COP(=O)([O-])OP(=O)([O-])[O-]>>C/C1=C\CC/C(C)=C/CC(C)(C)/C=C/C1.O=P([O-])([O-])OP(=O)([O-])O
49 68812 68813; 68814 LR; RL 2.5.1.10 2.5.1 1 1 8 8 unclassified_unique_ec4 MCSA_253_1_0 253 2.5.1.10 8 add:C~C:-,chg:C~C:->=,chg:C~C:=>-,del:C~O:- Asp117; Asp121; Asp257 Asp117; Asp121; Asp257 Arg126; Asp117; Asp121; Asp188; Asp257; Asp258; Lys214; Lys71; Phe112; Phe253 isopentenyl diphosphate(3-) + geranyl diphosphate(3-) -> diphosphate(3-) + 2-trans,6-trans-farnesyl diphosphate(3-) CC(C)=CCC/C(C)=C/CC/C(C)=C\COP(=O)([O-])OP(=O)([O-])[O-]>>C=C(CCC=C(C)C)C1CC=C(C)CC1.O=P([O-])([O-])OP(=O)([O-])O
50 68816 68817; 68818 LR; RL 2.5.1.10 2.5.1 1 1 8 8 unclassified_unique_ec4 MCSA_253_1_0 253 2.5.1.10 8 add:C~C:-,chg:C~C:->=,chg:C~C:=>-,del:C~O:- Asp117; Asp121; Asp257 Asp117; Asp121; Asp257 Arg126; Asp117; Asp121; Asp188; Asp257; Asp258; Lys214; Lys71; Phe112; Phe253 isopentenyl diphosphate(3-) + geranyl diphosphate(3-) -> diphosphate(3-) + 2-trans,6-trans-farnesyl diphosphate(3-) CC(C)=CCC/C(C)=C/CC/C(C)=C\COP(=O)([O-])OP(=O)([O-])[O-]>>CC(C)=CC/C=C(\C)C1CC=C(C)CC1.O=P([O-])([O-])OP(=O)([O-])O
51 68844 68845; 68846 LR; RL 2.5.1.10 2.5.1 1 1 8 8 unclassified_unique_ec4 MCSA_253_1_0 253 2.5.1.10 8 add:C~C:-,chg:C~C:->=,chg:C~C:=>-,del:C~O:- Asp117; Asp121; Asp257 Asp117; Asp121; Asp257 Arg126; Asp117; Asp121; Asp188; Asp257; Asp258; Lys214; Lys71; Phe112; Phe253 isopentenyl diphosphate(3-) + geranyl diphosphate(3-) -> diphosphate(3-) + 2-trans,6-trans-farnesyl diphosphate(3-) CC(C)=CCC/C(C)=C/CC/C(C)=C\COP(=O)([O-])OP(=O)([O-])[O-]>>CC(C)=CC/C=C(/C)C1CC=C(C)CC1.O=P([O-])([O-])OP(=O)([O-])O
52 77003 77004; 77005 LR; RL 3.2.2.1 3.2.2 1 1 8 8 unclassified_unique_ec4 MCSA_39_1_0 39 3.2.2.1 8 add:C~O:-,chg:C~N:->=,chg:C~N:=>-,del:C~N:- Asn39; Asp10; Asp15; Asp242; His241; Thr126 Asn39; Asp10; Asp15; Asp242; His241; Thr126 Asn168; Asn39; Asp10; Asp15; Asp242; His241; Phe167; Thr126 nebularine + water -> 7H-purine + D-ribofuranose [H][C@@]1(C[C@H]([NH3+])C(=O)[O-])CNC(=[NH2+])N1.[H]O[H]>>NC(=[NH2+])NC[C@@H](O)C[C@H]([NH3+])C(=O)[O-]
53 80875 80876; 80877 LR; RL 2.5.1.10 2.5.1 1 1 8 8 unclassified_unique_ec4 MCSA_253_1_0 253 2.5.1.10 8 add:C~C:-,chg:C~C:->=,chg:C~C:=>-,del:C~O:- Asp117; Asp121; Asp257 Asp117; Asp121; Asp257 Arg126; Asp117; Asp121; Asp188; Asp257; Asp258; Lys214; Lys71; Phe112; Phe253 isopentenyl diphosphate(3-) + geranyl diphosphate(3-) -> diphosphate(3-) + 2-trans,6-trans-farnesyl diphosphate(3-) CC1=CC(O)=C(C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC[C@@H]2OC2(C)C)C(=O)O1>>[H][C@@]1(CC/C(C)=C/CC/C(C)=C/CC2=C(O)C=C(C)OC2=O)C(=C)CC[C@H](O)C1(C)C
54 84027 84028; 84029 LR; RL 3.2.2.1 3.2.2 1 1 8 8 unclassified_unique_ec4 MCSA_39_1_0 39 3.2.2.1 8 add:C~O:-,chg:C~N:->=,chg:C~N:=>-,del:C~N:- Asn39; Asp10; Asp15; Asp242; His241; Thr126 Asn39; Asp10; Asp15; Asp242; His241; Thr126 Asn168; Asn39; Asp10; Asp15; Asp242; His241; Phe167; Thr126 nebularine + water -> 7H-purine + D-ribofuranose CN1C=NC(CCC(=O)[O-])C1=O.[H]O[H]>>[H]/C(N[C@@H](CCC(=O)[O-])C(=O)[O-])=[NH+]\C
55 84295 84296; 84297 LR; RL 3.2.1.114 3.2.1 1 1 8 8 unclassified_unique_ec4 MCSA_793_1_0 793 3.2.1.114 8 add:C~O:-,add:C~O:-,del:C~O:-,del:C~O:- Asp204; Asp341; Asp92; His471; His90 Asp204; Asp341; Asp92; His471; His90 Asp204; Asp341; Asp92; His471; His90 alpha-D-Manp-(1->3)-alpha-D-Manp-(1->2)-alpha-D-Manp + 2 water -> alpha-D-mannose + 2 alpha-D-mannose CC(C)=CCC/C(C)=C/COP(=O)([O-])OP(=O)([O-])[O-].NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O>>CC(C)=CCC/C(C)=C/COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-].NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O
56 84299 84300; 84301 LR; RL 3.2.1.114 3.2.1 1 1 8 8 unclassified_unique_ec4 MCSA_793_1_0 793 3.2.1.114 8 add:C~O:-,add:C~O:-,del:C~O:-,del:C~O:- Asp204; Asp341; Asp92; His471; His90 Asp204; Asp341; Asp92; His471; His90 Asp204; Asp341; Asp92; His471; His90 alpha-D-Manp-(1->3)-alpha-D-Manp-(1->2)-alpha-D-Manp + 2 water -> alpha-D-mannose + 2 alpha-D-mannose CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-].NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O>>CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-].NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O
57 28510 28511; 28512 LR; RL 3.2.1.114 3.2.1 2 1 8 8 unclassified_unique_ec4 MCSA_793_1_0 793 3.2.1.114 8 add:C~O:-,add:C~O:-,del:C~O:-,del:C~O:- Asp204; Asp341; Asp92; His471; His90 Asp204; Asp341; Asp92; His471; His90 Asp204; Asp341; Asp92; His471; His90 alpha-D-Manp-(1->3)-alpha-D-Manp-(1->2)-alpha-D-Manp + 2 water -> alpha-D-mannose + 2 alpha-D-mannose O=P([O-])([O-])OC[C@H]1O[C@@H](OC2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O.[H]O[H]>>O=P([O-])([O-])OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O.OC1=CC=C(O)C=C1
58 32907 32908; 32909 LR; RL 3.2.1.114 3.2.1 2 1 8 8 unclassified_unique_ec4 MCSA_793_1_0 793 3.2.1.114 8 add:C~O:-,add:C~O:-,del:C~O:-,del:C~O:- Asp204; Asp341; Asp92; His471; His90 Asp204; Asp341; Asp92; His471; His90 Asp204; Asp341; Asp92; His471; His90 alpha-D-Manp-(1->3)-alpha-D-Manp-(1->2)-alpha-D-Manp + 2 water -> alpha-D-mannose + 2 alpha-D-mannose [1*]C(=O)OC[C@]([H])(COP(=O)([O-])OCC[N+](C)(C)C)OC([2*])=O.[H]O[H].[H]O[H]>>C[N+](C)(C)CCOP(=O)([O-])OC[C@H](O)CO.[1*]C(=O)[O-].[1*]C(=O)[O-].[H+].[H+]
59 32971 32972; 32973 LR; RL 3.2.1.114 3.2.1 2 1 8 8 unclassified_unique_ec4 MCSA_793_1_0 793 3.2.1.114 8 add:C~O:-,add:C~O:-,del:C~O:-,del:C~O:- Asp204; Asp341; Asp92; His471; His90 Asp204; Asp341; Asp92; His471; His90 Asp204; Asp341; Asp92; His471; His90 alpha-D-Manp-(1->3)-alpha-D-Manp-(1->2)-alpha-D-Manp + 2 water -> alpha-D-mannose + 2 alpha-D-mannose [1*]C(=O)OC[C@H](COP(=O)([O-])OCC[NH3+])OC([2*])=O.[H]O[H].[H]O[H]>>[NH3+]CCOP(=O)([O-])OC[C@H](O)CO.[1*]C(=O)[O-].[1*]C(=O)[O-].[H+].[H+]
60 33127 33128; 33129 LR; RL 3.2.1.114 3.2.1 2 1 8 8 unclassified_unique_ec4 MCSA_793_1_0 793 3.2.1.114 8 add:C~O:-,add:C~O:-,del:C~O:-,del:C~O:- Asp204; Asp341; Asp92; His471; His90 Asp204; Asp341; Asp92; His471; His90 Asp204; Asp341; Asp92; His471; His90 alpha-D-Manp-(1->3)-alpha-D-Manp-(1->2)-alpha-D-Manp + 2 water -> alpha-D-mannose + 2 alpha-D-mannose O=P([O-])([O-])OC[C@H]1O[C@@H](OC2=CC=CC=C2CO)[C@H](O)[C@@H](O)[C@@H]1O.[H]O[H]>>OCC1=CC=CC=C1O.O=P([O-])([O-])OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
61 40659 40660; 40661 LR; RL 3.2.1.114 3.2.1 2 1 8 8 unclassified_unique_ec4 MCSA_793_1_0 793 3.2.1.114 8 add:C~O:-,add:C~O:-,del:C~O:-,del:C~O:- Asp204; Asp341; Asp92; His471; His90 Asp204; Asp341; Asp92; His471; His90 Asp204; Asp341; Asp92; His471; His90 alpha-D-Manp-(1->3)-alpha-D-Manp-(1->2)-alpha-D-Manp + 2 water -> alpha-D-mannose + 2 alpha-D-mannose CCCCCCCCCCCCCCCCO.CCCCCCCCCCCCCCCC(=O)OCC(=O)COP(=O)([O-])[O-]>>CCCCCCCCCCCCCCCCOCC(=O)COP(=O)([O-])[O-].CCCCCCCCCCCCCCCC(=O)[O-].[H+]
62 40679 40680; 40681 LR; RL 3.2.1.114 3.2.1 2 1 8 8 unclassified_unique_ec4 MCSA_793_1_0 793 3.2.1.114 8 add:C~O:-,add:C~O:-,del:C~O:-,del:C~O:- Asp204; Asp341; Asp92; His471; His90 Asp204; Asp341; Asp92; His471; His90 Asp204; Asp341; Asp92; His471; His90 alpha-D-Manp-(1->3)-alpha-D-Manp-(1->2)-alpha-D-Manp + 2 water -> alpha-D-mannose + 2 alpha-D-mannose CCCCCCCC/C=C\CCCCCCCCO.CCCCCCCCCCCCCCCC(=O)OCC(=O)COP(=O)([O-])[O-]>>CCCCCCCC/C=C\CCCCCCCCOCC(=O)COP(=O)([O-])[O-].CCCCCCCCCCCCCCCC(=O)[O-].[H+]
63 40683 40684; 40685 LR; RL 3.2.1.114 3.2.1 2 1 8 8 unclassified_unique_ec4 MCSA_793_1_0 793 3.2.1.114 8 add:C~O:-,add:C~O:-,del:C~O:-,del:C~O:- Asp204; Asp341; Asp92; His471; His90 Asp204; Asp341; Asp92; His471; His90 Asp204; Asp341; Asp92; His471; His90 alpha-D-Manp-(1->3)-alpha-D-Manp-(1->2)-alpha-D-Manp + 2 water -> alpha-D-mannose + 2 alpha-D-mannose CCCCCCCCCCCCO.CCCCCCCCCCCCCCCC(=O)OCC(=O)COP(=O)([O-])[O-]>>CCCCCCCCCCCCOCC(=O)COP(=O)([O-])[O-].CCCCCCCCCCCCCCCC(=O)[O-].[H+]
64 40687 40688; 40689 LR; RL 3.2.1.114 3.2.1 2 1 8 8 unclassified_unique_ec4 MCSA_793_1_0 793 3.2.1.114 8 add:C~O:-,add:C~O:-,del:C~O:-,del:C~O:- Asp204; Asp341; Asp92; His471; His90 Asp204; Asp341; Asp92; His471; His90 Asp204; Asp341; Asp92; His471; His90 alpha-D-Manp-(1->3)-alpha-D-Manp-(1->2)-alpha-D-Manp + 2 water -> alpha-D-mannose + 2 alpha-D-mannose CCCCCCCCCCCCCCO.CCCCCCCCCCCCCCCC(=O)OCC(=O)COP(=O)([O-])[O-]>>CCCCCCCCCCCCCCOCC(=O)COP(=O)([O-])[O-].CCCCCCCCCCCCCCCC(=O)[O-].[H+]
65 40691 40692; 40693 LR; RL 3.2.1.114 3.2.1 2 1 8 8 unclassified_unique_ec4 MCSA_793_1_0 793 3.2.1.114 8 add:C~O:-,add:C~O:-,del:C~O:-,del:C~O:- Asp204; Asp341; Asp92; His471; His90 Asp204; Asp341; Asp92; His471; His90 Asp204; Asp341; Asp92; His471; His90 alpha-D-Manp-(1->3)-alpha-D-Manp-(1->2)-alpha-D-Manp + 2 water -> alpha-D-mannose + 2 alpha-D-mannose CCCCCCCCCCCCCCCO.CCCCCCCCCCCCCCCC(=O)OCC(=O)COP(=O)([O-])[O-]>>CCCCCCCCCCCCCCCOCC(=O)COP(=O)([O-])[O-].CCCCCCCCCCCCCCCC(=O)[O-].[H+]
66 40695 40696; 40697 LR; RL 3.2.1.114 3.2.1 2 1 8 8 unclassified_unique_ec4 MCSA_793_1_0 793 3.2.1.114 8 add:C~O:-,add:C~O:-,del:C~O:-,del:C~O:- Asp204; Asp341; Asp92; His471; His90 Asp204; Asp341; Asp92; His471; His90 Asp204; Asp341; Asp92; His471; His90 alpha-D-Manp-(1->3)-alpha-D-Manp-(1->2)-alpha-D-Manp + 2 water -> alpha-D-mannose + 2 alpha-D-mannose CCCCCCCCCCCCCCCCCO.CCCCCCCCCCCCCCCC(=O)OCC(=O)COP(=O)([O-])[O-]>>CCCCCCCCCCCCCCCCCOCC(=O)COP(=O)([O-])[O-].CCCCCCCCCCCCCCCC(=O)[O-].[H+]
67 40699 40700; 40701 LR; RL 3.2.1.114 3.2.1 2 1 8 8 unclassified_unique_ec4 MCSA_793_1_0 793 3.2.1.114 8 add:C~O:-,add:C~O:-,del:C~O:-,del:C~O:- Asp204; Asp341; Asp92; His471; His90 Asp204; Asp341; Asp92; His471; His90 Asp204; Asp341; Asp92; His471; His90 alpha-D-Manp-(1->3)-alpha-D-Manp-(1->2)-alpha-D-Manp + 2 water -> alpha-D-mannose + 2 alpha-D-mannose CCCCCCCCCCCCCCCCCCO.CCCCCCCCCCCCCCCC(=O)OCC(=O)COP(=O)([O-])[O-]>>CCCCCCCCCCCCCCCCCCOCC(=O)COP(=O)([O-])[O-].CCCCCCCCCCCCCCCC(=O)[O-].[H+]
68 40703 40704; 40705 LR; RL 3.2.1.114 3.2.1 2 1 8 8 unclassified_unique_ec4 MCSA_793_1_0 793 3.2.1.114 8 add:C~O:-,add:C~O:-,del:C~O:-,del:C~O:- Asp204; Asp341; Asp92; His471; His90 Asp204; Asp341; Asp92; His471; His90 Asp204; Asp341; Asp92; His471; His90 alpha-D-Manp-(1->3)-alpha-D-Manp-(1->2)-alpha-D-Manp + 2 water -> alpha-D-mannose + 2 alpha-D-mannose CCCCC/C=C\C/C=C\CCCCCCCCO.CCCCCCCCCCCCCCCC(=O)OCC(=O)COP(=O)([O-])[O-]>>CCCCC/C=C\C/C=C\CCCCCCCCOCC(=O)COP(=O)([O-])[O-].CCCCCCCCCCCCCCCC(=O)[O-].[H+]
69 40707 40708; 40709 LR; RL 3.2.1.114 3.2.1 2 1 8 8 unclassified_unique_ec4 MCSA_793_1_0 793 3.2.1.114 8 add:C~O:-,add:C~O:-,del:C~O:-,del:C~O:- Asp204; Asp341; Asp92; His471; His90 Asp204; Asp341; Asp92; His471; His90 Asp204; Asp341; Asp92; His471; His90 alpha-D-Manp-(1->3)-alpha-D-Manp-(1->2)-alpha-D-Manp + 2 water -> alpha-D-mannose + 2 alpha-D-mannose CC/C=C\C/C=C\C/C=C\CCCCCCCCO.CCCCCCCCCCCCCCCC(=O)OCC(=O)COP(=O)([O-])[O-]>>CC/C=C\C/C=C\C/C=C\CCCCCCCCOCC(=O)COP(=O)([O-])[O-].CCCCCCCCCCCCCCCC(=O)[O-].[H+]
70 40711 40712; 40713 LR; RL 3.2.1.114 3.2.1 2 1 8 8 unclassified_unique_ec4 MCSA_793_1_0 793 3.2.1.114 8 add:C~O:-,add:C~O:-,del:C~O:-,del:C~O:- Asp204; Asp341; Asp92; His471; His90 Asp204; Asp341; Asp92; His471; His90 Asp204; Asp341; Asp92; His471; His90 alpha-D-Manp-(1->3)-alpha-D-Manp-(1->2)-alpha-D-Manp + 2 water -> alpha-D-mannose + 2 alpha-D-mannose CCCCCCCCCCCCCCCCCC(=O)OCC(=O)COP(=O)([O-])[O-].CCCCCCCCCCCCCCCCO>>CCCCCCCCCCCCCCCCOCC(=O)COP(=O)([O-])[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[H+]
71 40727 40728; 40729 LR; RL 3.2.1.114 3.2.1 2 1 8 8 unclassified_unique_ec4 MCSA_793_1_0 793 3.2.1.114 8 add:C~O:-,add:C~O:-,del:C~O:-,del:C~O:- Asp204; Asp341; Asp92; His471; His90 Asp204; Asp341; Asp92; His471; His90 Asp204; Asp341; Asp92; His471; His90 alpha-D-Manp-(1->3)-alpha-D-Manp-(1->2)-alpha-D-Manp + 2 water -> alpha-D-mannose + 2 alpha-D-mannose CCCCCCCCCCCCCCCC(=O)OCC(=O)COP(=O)([O-])[O-].*C(=O)[O-]>>*C(=O)OCC(=O)COP(=O)([O-])[O-].CCCCCCCCCCCCCCCC(=O)[O-]
72 40751 40752; 40753 LR; RL 3.2.1.114 3.2.1 2 1 8 8 unclassified_unique_ec4 MCSA_793_1_0 793 3.2.1.114 8 add:C~O:-,add:C~O:-,del:C~O:-,del:C~O:- Asp204; Asp341; Asp92; His471; His90 Asp204; Asp341; Asp92; His471; His90 Asp204; Asp341; Asp92; His471; His90 alpha-D-Manp-(1->3)-alpha-D-Manp-(1->2)-alpha-D-Manp + 2 water -> alpha-D-mannose + 2 alpha-D-mannose CCCCCCCCCCCCCCCC(=O)OCC(=O)COP(=O)([O-])[O-].CCCCCCCC/C=C\CCCCCCCC(=O)[O-]>>CCCCCCCC/C=C\CCCCCCCC(=O)OCC(=O)COP(=O)([O-])[O-].CCCCCCCCCCCCCCCC(=O)[O-]
73 40755 40756; 40757 LR; RL 3.2.1.114 3.2.1 2 1 8 8 unclassified_unique_ec4 MCSA_793_1_0 793 3.2.1.114 8 add:C~O:-,add:C~O:-,del:C~O:-,del:C~O:- Asp204; Asp341; Asp92; His471; His90 Asp204; Asp341; Asp92; His471; His90 Asp204; Asp341; Asp92; His471; His90 alpha-D-Manp-(1->3)-alpha-D-Manp-(1->2)-alpha-D-Manp + 2 water -> alpha-D-mannose + 2 alpha-D-mannose CCCCCCCCCCCCCCCC(=O)OCC(=O)COP(=O)([O-])[O-].CCCCC/C=C\C/C=C\CCCCCCCC(=O)[O-]>>CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC(=O)COP(=O)([O-])[O-].CCCCCCCCCCCCCCCC(=O)[O-]
74 40759 40760; 40761 LR; RL 3.2.1.114 3.2.1 2 1 8 8 unclassified_unique_ec4 MCSA_793_1_0 793 3.2.1.114 8 add:C~O:-,add:C~O:-,del:C~O:-,del:C~O:- Asp204; Asp341; Asp92; His471; His90 Asp204; Asp341; Asp92; His471; His90 Asp204; Asp341; Asp92; His471; His90 alpha-D-Manp-(1->3)-alpha-D-Manp-(1->2)-alpha-D-Manp + 2 water -> alpha-D-mannose + 2 alpha-D-mannose CCCCCCCCCCCCCCCC(=O)OCC(=O)COP(=O)([O-])[O-].CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)[O-]>>CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OCC(=O)COP(=O)([O-])[O-].CCCCCCCCCCCCCCCC(=O)[O-]
75 40835 40836; 40837 LR; RL 3.2.1.114 3.2.1 2 1 8 8 unclassified_unique_ec4 MCSA_793_1_0 793 3.2.1.114 8 add:C~O:-,add:C~O:-,del:C~O:-,del:C~O:- Asp204; Asp341; Asp92; His471; His90 Asp204; Asp341; Asp92; His471; His90 Asp204; Asp341; Asp92; His471; His90 alpha-D-Manp-(1->3)-alpha-D-Manp-(1->2)-alpha-D-Manp + 2 water -> alpha-D-mannose + 2 alpha-D-mannose CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCCCC.[H]O[H].[H]O[H]>>C[N+](C)(C)CCOP(=O)([O-])OC[C@H](O)CO.CCCCCCCC/C=C\CCCCCCCC(=O)[O-].CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[H+].[H+]
76 40935 40936; 40937 LR; RL 3.2.1.114 3.2.1 2 1 8 8 unclassified_unique_ec4 MCSA_793_1_0 793 3.2.1.114 8 add:C~O:-,add:C~O:-,del:C~O:-,del:C~O:- Asp204; Asp341; Asp92; His471; His90 Asp204; Asp341; Asp92; His471; His90 Asp204; Asp341; Asp92; His471; His90 alpha-D-Manp-(1->3)-alpha-D-Manp-(1->2)-alpha-D-Manp + 2 water -> alpha-D-mannose + 2 alpha-D-mannose *C(=O)OCC(=O)COP(=O)([O-])[O-].CCCCCCCCCCCCCCCCO>>CCCCCCCCCCCCCCCCOCC(=O)COP(=O)([O-])[O-].*C(=O)[O-].[H+]
77 40975 40976; 40977 LR; RL 3.2.1.114 3.2.1 2 1 8 8 unclassified_unique_ec4 MCSA_793_1_0 793 3.2.1.114 8 add:C~O:-,add:C~O:-,del:C~O:-,del:C~O:- Asp204; Asp341; Asp92; His471; His90 Asp204; Asp341; Asp92; His471; His90 Asp204; Asp341; Asp92; His471; His90 alpha-D-Manp-(1->3)-alpha-D-Manp-(1->2)-alpha-D-Manp + 2 water -> alpha-D-mannose + 2 alpha-D-mannose CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC.[H]O[H].[H]O[H]>>C[N+](C)(C)CCOP(=O)([O-])OC[C@H](O)CO.CCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC(=O)[O-].[H+].[H+]
78 60624 60625; 60626 LR; RL 3.2.1.114 3.2.1 2 1 8 8 unclassified_unique_ec4 MCSA_793_1_0 793 3.2.1.114 8 add:C~O:-,add:C~O:-,del:C~O:-,del:C~O:- Asp204; Asp341; Asp92; His471; His90 Asp204; Asp341; Asp92; His471; His90 Asp204; Asp341; Asp92; His471; His90 alpha-D-Manp-(1->3)-alpha-D-Manp-(1->2)-alpha-D-Manp + 2 water -> alpha-D-mannose + 2 alpha-D-mannose CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[NH3+])OC(=O)CCCCCCC/C=C\CCCCCCCC.[H]O[H].[H]O[H]>>[NH3+]CCOP(=O)([O-])OC[C@H](O)CO.CCCCCCCC/C=C\CCCCCCCC(=O)[O-].CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[H+].[H+]
79 68312 68313; 68314 LR; RL 3.2.1.114 3.2.1 2 1 8 8 unclassified_unique_ec4 MCSA_793_1_0 793 3.2.1.114 8 add:C~O:-,add:C~O:-,del:C~O:-,del:C~O:- Asp204; Asp341; Asp92; His471; His90 Asp204; Asp341; Asp92; His471; His90 Asp204; Asp341; Asp92; His471; His90 alpha-D-Manp-(1->3)-alpha-D-Manp-(1->2)-alpha-D-Manp + 2 water -> alpha-D-mannose + 2 alpha-D-mannose O=P([O-])([O-])O[C@@H]1[C@@H](OP(=O)([O-])[O-])[C@H](OP(=O)([O-])[O-])[C@@H](O)[C@H](OP(=O)([O-])[O-])[C@@H]1OP(=O)([O-])[O-].[H]O[H]>>O=P([O-])([O-])O[C@@H]1[C@@H](OP(=O)([O-])[O-])[C@@H](OP(=O)([O-])[O-])[C@@H](O)[C@H](O)[C@H]1OP(=O)([O-])[O-].O=P([O-])([O-])O
80 69671 69672; 69673 LR; RL 3.2.1.114 3.2.1 2 1 8 8 unclassified_unique_ec4 MCSA_793_1_0 793 3.2.1.114 8 add:C~O:-,add:C~O:-,del:C~O:-,del:C~O:- Asp204; Asp341; Asp92; His471; His90 Asp204; Asp341; Asp92; His471; His90 Asp204; Asp341; Asp92; His471; His90 alpha-D-Manp-(1->3)-alpha-D-Manp-(1->2)-alpha-D-Manp + 2 water -> alpha-D-mannose + 2 alpha-D-mannose O=C1C[C@@H](C2=CC=C(O)C=C2)OC2=C1C(O)=CC(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)=C2.[H]O[H]>>O=C1C[C@@H](C2=CC=C(O)C=C2)OC2=CC(O)=CC(O)=C12.OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
81 69675 69676; 69677 LR; RL 3.2.1.114 3.2.1 2 1 8 8 unclassified_unique_ec4 MCSA_793_1_0 793 3.2.1.114 8 add:C~O:-,add:C~O:-,del:C~O:-,del:C~O:- Asp204; Asp341; Asp92; His471; His90 Asp204; Asp341; Asp92; His471; His90 Asp204; Asp341; Asp92; His471; His90 alpha-D-Manp-(1->3)-alpha-D-Manp-(1->2)-alpha-D-Manp + 2 water -> alpha-D-mannose + 2 alpha-D-mannose O=C1C[C@@H](C2=CC(O)=C(O)C=C2)OC2=C1/C(O)=C\C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)=C/2.[H]O[H]>>O=C1C[C@@H](C2=CC=C(O)C(O)=C2)OC2=CC(O)=CC(O)=C12.OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
82 86031 86032; 86033 LR; RL 3.2.1.114 3.2.1 2 1 8 8 unclassified_unique_ec4 MCSA_793_1_0 793 3.2.1.114 8 add:C~O:-,add:C~O:-,del:C~O:-,del:C~O:- Asp204; Asp341; Asp92; His471; His90 Asp204; Asp341; Asp92; His471; His90 Asp204; Asp341; Asp92; His471; His90 alpha-D-Manp-(1->3)-alpha-D-Manp-(1->2)-alpha-D-Manp + 2 water -> alpha-D-mannose + 2 alpha-D-mannose O=C([O-])C1=C(C2=C(C(=O)[O-])C=C(O)C(O)=C2O)C(O)=C(O)C(O)=C1>>O=C1OC2=C(O)C([O-])=CC3=C2C2=C1C=C([O-])C(O)=C2OC3=O.[H]O[H].[H]O[H]
83 10480 10481; 10482 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion [NH3+][C@@H](CC(O)C(=O)[O-])C(=O)[O-].O=C([O-])CCC(=O)C(=O)[O-]>>O=C([O-])C(=O)CC(O)C(=O)[O-].[NH3+][C@@H](CCC(=O)[O-])C(=O)[O-]
84 19249 19250; 19251 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion NC1=CC=CC=C1C(=O)C[C@H]([NH3+])C(=O)[O-].[H]C(=O)C(=O)[O-]>>NC1=C(C(=O)CC(=O)C(=O)[O-])C=CC=C1.[NH3+]CC(=O)[O-]
85 20964 20965; 20966 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion NC1=CC=CC=C1C(=O)C[C@H]([NH3+])C(=O)[O-].O=C([O-])CCC(=O)C(=O)[O-]>>NC1=C(C(=O)CC(=O)C(=O)[O-])C=CC=C1.[NH3+][C@@H](CCC(=O)[O-])C(=O)[O-]
86 25315 25316; 25317 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion CC(=O)N[C@@H](CCC[C@H]([NH3+])C(=O)[O-])C(=O)[O-].O=C([O-])CCC(=O)C(=O)[O-]>>CC(=O)N[C@@H](CCCC(=O)C(=O)[O-])C(=O)[O-].[NH3+][C@@H](CCC(=O)[O-])C(=O)[O-]
87 28562 28563; 28564 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion [H]C(=O)C1=C(COP(=O)([O-])[O-])C=NC(C)=C1O.C[C@@H]([NH3+])C(=O)[O-]>>CC1=C(O)C(C[NH3+])=C(COP(=O)([O-])[O-])C=N1.CC(=O)C(=O)[O-]
88 30023 30024; 30025 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion [H]C(=O)C1=C(COP(=O)([O-])[O-])C=NC(C)=C1O.C[C@H]([NH3+])C(=O)[O-]>>CC1=C(O)C(C[NH3+])=C(COP(=O)([O-])[O-])C=N1.CC(=O)C(=O)[O-]
89 30875 30876; 30877 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion [NH3+]CCCC[C@@H]([NH3+])C(=O)[O-].O=C([O-])CCC(=O)C(=O)[O-]>>[NH3+]CCCCC(=O)C(=O)[O-].[NH3+][C@H](CCC(=O)[O-])C(=O)[O-]
90 31071 31072; 31073 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion C[C@@H](C=O)C(=O)[O-].C[C@H]([NH3+])C(=O)[O-]>>C[C@@H](C[NH3+])C(=O)[O-].CC(=O)C(=O)[O-]
91 33131 33132; 33133 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion O=C([O-])C(=O)CC1C=CC(O)CC1.[NH3+][C@@H](CC1=CC=CC=C1)C(=O)[O-]>>[NH3+]C(CC1C=CC(O)CC1)C(=O)[O-].O=C([O-])C(=O)CC1=CC=CC=C1
92 37587 37588; 37589 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion [NH3+]CCCC[C@@H]([NH3+])C(=O)[O-].O=C([O-])CCC(=O)C(=O)[O-]>>[NH3+]CCCCC(=O)C(=O)[O-].[NH3+][C@@H](CCC(=O)[O-])C(=O)[O-]
93 40011 40012; 40013 LR; RL 3.1.7.9 3.1.7 4 2 8 8 unclassified_unique_ec4 MCSA_954_1_0; MCSA_954_2_0 954 3.1.7.9 8 add:C~O:-,chg:C~C:->=,chg:C~C:=>-,del:C~O:- Arg38; Asp34; Tyr51; Tyr90 Arg38; Asp34; Tyr51; Tyr90 Arg38; Asp34; Tyr51; Tyr90 water + tuberculosinyl diphosphate(3-) -> diphosphate(3-) + (13R)-edaxadiene [H][C@@]12CCC(=C)[C@H](CC/C(C)=C/COP(=O)([O-])OP(=O)([O-])[O-])[C@@]1(C)CCCC2(C)C.[H]O[H]>>[H][C@]1(CC[C@@](C)(O)C=C)C(=C)CC[C@@]2([H])C(C)(C)CCC[C@]12C.O=P([O-])([O-])OP(=O)([O-])O
94 40015 40016; 40017 LR; RL 3.1.7.9 3.1.7 4 2 8 8 unclassified_unique_ec4 MCSA_954_1_0; MCSA_954_2_0 954 3.1.7.9 8 add:C~O:-,chg:C~C:->=,chg:C~C:=>-,del:C~O:- Arg38; Asp34; Tyr51; Tyr90 Arg38; Asp34; Tyr51; Tyr90 Arg38; Asp34; Tyr51; Tyr90 water + tuberculosinyl diphosphate(3-) -> diphosphate(3-) + (13R)-edaxadiene [H][C@@]12CCC(=C)[C@H](CC/C(C)=C/COP(=O)([O-])OP(=O)([O-])[O-])[C@@]1(C)CCCC2(C)C.[H]O[H]>>[H][C@]1(CC[C@](C)(O)C=C)C(=C)CC[C@@]2([H])C(C)(C)CCC[C@]12C.O=P([O-])([O-])OP(=O)([O-])O
95 40027 40028; 40029 LR; RL 3.1.7.9 3.1.7 4 2 8 8 unclassified_unique_ec4 MCSA_954_1_0; MCSA_954_2_0 954 3.1.7.9 8 add:C~O:-,chg:C~C:->=,chg:C~C:=>-,del:C~O:- Arg38; Asp34; Tyr51; Tyr90 Arg38; Asp34; Tyr51; Tyr90 Arg38; Asp34; Tyr51; Tyr90 water + tuberculosinyl diphosphate(3-) -> diphosphate(3-) + (13R)-edaxadiene [H][C@@]12CCC(=C)[C@@H](CC/C(C)=C/COP(=O)([O-])OP(=O)([O-])[O-])[C@@]1(C)CCCC2(C)C.[H]O[H]>>[H][C@@]12CCC(=C)[C@@]([H])(CC[C@](C)(O)C=C)[C@@]1(C)CCCC2(C)C.O=P([O-])([O-])OP(=O)([O-])O
96 40031 40032; 40033 LR; RL 3.1.7.9 3.1.7 4 2 8 8 unclassified_unique_ec4 MCSA_954_1_0; MCSA_954_2_0 954 3.1.7.9 8 add:C~O:-,chg:C~C:->=,chg:C~C:=>-,del:C~O:- Arg38; Asp34; Tyr51; Tyr90 Arg38; Asp34; Tyr51; Tyr90 Arg38; Asp34; Tyr51; Tyr90 water + tuberculosinyl diphosphate(3-) -> diphosphate(3-) + (13R)-edaxadiene [H][C@]12CCC(=C)[C@@H](CC/C(C)=C/COP(=O)([O-])OP(=O)([O-])[O-])[C@]1(C)CCCC2(C)C.[H]O[H]>>[H][C@@]1(CC[C@](C)(O)C=C)C(=C)CC[C@]2([H])C(C)(C)CCC[C@@]12C.O=P([O-])([O-])OP(=O)([O-])O
97 42504 42505; 42506 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion CC(=O)NCCCC[C@H]([NH3+])C(=O)[O-].O=C([O-])CCC(=O)C(=O)[O-]>>CC(=O)NCCCCC(=O)C(=O)[O-].[NH3+][C@@H](CCC(=O)[O-])C(=O)[O-]
98 47084 47085; 47086 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion CSCCC(=O)C(=O)[O-].[NH3+][C@@H](CC1=CC=C(O)C=C1)C(=O)[O-]>>O=C([O-])C(=O)CC1=CC=C(O)C=C1.CSCC[C@H]([NH3+])C(=O)[O-]
99 47320 47321; 47322 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion [NH3+][C@@H](CC(=O)[O-])C1=CC=CC=C1.O=C([O-])CCC(=O)C(=O)[O-]>>O=C([O-])CC(=O)C1=CC=CC=C1.[NH3+][C@@H](CCC(=O)[O-])C(=O)[O-]
100 47324 47325; 47326 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion [NH3+][C@@H](CC(=O)[O-])C1=CC=CC=C1.CC(=O)C(=O)[O-]>>O=C([O-])CC(=O)C1=CC=CC=C1.C[C@H]([NH3+])C(=O)[O-]
101 47800 47801; 47802 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion *[C@H]([NH3+])C(=O)[O-].CSCCC(=O)C(=O)[O-]>>*C(=O)C(=O)[O-].CSCC[C@H]([NH3+])C(=O)[O-]
102 51068 51069; 51070 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion CCCC[C@@H](C)[C@@H](O)[C@@H](O)C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)[NH3+].CC(=O)C(=O)[O-]>>CCCC[C@@H](C)[C@@H](O)[C@@H](O)C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)C(C)=O.C[C@H]([NH3+])C(=O)[O-]
103 56984 56985; 56986 LR; RL 3.1.7.9 3.1.7 4 2 8 8 unclassified_unique_ec4 MCSA_954_1_0; MCSA_954_2_0 954 3.1.7.9 8 add:C~O:-,chg:C~C:->=,chg:C~C:=>-,del:C~O:- Arg38; Asp34; Tyr51; Tyr90 Arg38; Asp34; Tyr51; Tyr90 Arg38; Asp34; Tyr51; Tyr90 water + tuberculosinyl diphosphate(3-) -> diphosphate(3-) + (13R)-edaxadiene CC(C)=CCC/C(C)=C/CC/C(C)=C/COP(=O)([O-])OP(=O)([O-])[O-].[H]O[H]>>C=CC(C)(O)CC/C=C(\C)CCC=C(C)C.O=P([O-])([O-])OP(=O)([O-])O
104 59384 59385; 59386 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion NC1=CC=C(C[C@H]([NH3+])C(=O)[O-])C=C1.O=C([O-])CCC(=O)C(=O)[O-]>>NC1=CC=C(CC(=O)C(=O)[O-])C=C1.[NH3+][C@@H](CCC(=O)[O-])C(=O)[O-]
105 59824 59825; 59826 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion CC1=C(O)C(C[NH3+])=C(COP(=O)([O-])[O-])C=N1.O=C([O-])CCC(=O)C(=O)[O-]>>[H]C(=O)C1=C(COP(=O)([O-])[O-])C=NC(C)=C1O.[NH3+][C@@H](CCC(=O)[O-])C(=O)[O-]
106 61624 61625; 61626 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion [NH3+]CCCCC[NH3+].O=C([O-])CCC(=O)C(=O)[O-]>>[H]C(=O)CCCC[NH3+].[NH3+][C@@H](CCC(=O)[O-])C(=O)[O-]
107 62180 62181; 62182 LR; RL 3.1.7.9 3.1.7 4 2 8 8 unclassified_unique_ec4 MCSA_954_1_0; MCSA_954_2_0 954 3.1.7.9 8 add:C~O:-,chg:C~C:->=,chg:C~C:=>-,del:C~O:- Arg38; Asp34; Tyr51; Tyr90 Arg38; Asp34; Tyr51; Tyr90 Arg38; Asp34; Tyr51; Tyr90 water + tuberculosinyl diphosphate(3-) -> diphosphate(3-) + (13R)-edaxadiene [H][C@@]12CC[C@@H](C)[C@](O)(CC/C(C)=C/COP(=O)([O-])OP(=O)([O-])[O-])[C@@]1(C)CCCC2(C)C.[H]O[H]>>[H][C@@]12CC[C@@H](C)[C@](O)(CCC(C)(O)C=C)[C@@]1(C)CCCC2(C)C.O=P([O-])([O-])OP(=O)([O-])O
108 64272 64273; 64274 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion [NH3+]CC1=CC=CC=C1.CC(=O)C(=O)[O-]>>[H]C(=O)C1=CC=CC=C1.C[C@H]([NH3+])C(=O)[O-]
109 64280 64281; 64282 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion C[C@H]([NH3+])C1=CC=CC=C1.CC(=O)C(=O)[O-]>>CC(=O)C1=CC=CC=C1.C[C@H]([NH3+])C(=O)[O-]
110 64284 64285; 64286 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion [NH3+]CCC1=CC=CC=C1.CC(=O)C(=O)[O-]>>[H]C(=O)CC1=CC=CC=C1.C[C@H]([NH3+])C(=O)[O-]
111 64300 64301; 64302 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion [NH3+]CCCC1=CC=CC=C1.CC(=O)C(=O)[O-]>>[H]C(=O)CCC1=CC=CC=C1.C[C@H]([NH3+])C(=O)[O-]
112 64304 64305; 64306 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion CCC([NH3+])C1=CC=CC=C1.CC(=O)C(=O)[O-]>>CCC(=O)C1=CC=CC=C1.C[C@H]([NH3+])C(=O)[O-]
113 64308 64309; 64310 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion CC([NH3+])CC(=O)[O-].CC(=O)C(=O)[O-]>>CC(=O)CC(=O)[O-].C[C@H]([NH3+])C(=O)[O-]
114 65888 65889; 65890 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion NC1=C(O)C=CC=C1C(=O)C[C@H]([NH3+])C(=O)[O-].O=C([O-])CCC(=O)C(=O)[O-]>>NC1=C(O)C=CC=C1C(=O)CC(=O)C(=O)[O-].[NH3+][C@@H](CCC(=O)[O-])C(=O)[O-]
115 65904 65905; 65906 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion NC1=C(O)C=CC=C1C(=O)C[C@H]([NH3+])C(=O)[O-].[H]C(=O)C(=O)[O-]>>NC1=C(O)C=CC=C1C(=O)CC(=O)C(=O)[O-].[NH3+]CC(=O)[O-]
116 65912 65913; 65914 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion NC1=C(O)C=CC=C1C(=O)C[C@H]([NH3+])C(=O)[O-].CC(=O)C(=O)[O-]>>NC1=C(O)C=CC=C1C(=O)CC(=O)C(=O)[O-].C[C@H]([NH3+])C(=O)[O-]
117 65920 65921; 65922 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion NC1=CC=CC=C1C(=O)C[C@H]([NH3+])C(=O)[O-].CC(=O)C(=O)[O-]>>NC1=C(C(=O)CC(=O)C(=O)[O-])C=CC=C1.C[C@H]([NH3+])C(=O)[O-]
118 66048 66049; 66050 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion CCC(=O)C(=O)[O-].NC1=CC=CC=C1C(=O)C[C@H]([NH3+])C(=O)[O-]>>NC1=C(C(=O)CC(=O)C(=O)[O-])C=CC=C1.CC[C@H]([NH3+])C(=O)[O-]
119 66056 66057; 66058 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion O=C([O-])C(=O)CC1=CNC2=C1C=CC=C2.NC1=CC=CC=C1C(=O)C[C@H]([NH3+])C(=O)[O-]>>NC1=C(C(=O)CC(=O)C(=O)[O-])C=CC=C1.[NH3+][C@@H](CC1=CNC2=C1C=CC=C2)C(=O)[O-]
120 66064 66065; 66066 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion CCCCC(=O)C(=O)[O-].NC1=CC=CC=C1C(=O)C[C@H]([NH3+])C(=O)[O-]>>CCCC[C@H]([NH3+])C(=O)[O-].NC1=C(C(=O)CC(=O)C(=O)[O-])C=CC=C1
121 66072 66073; 66074 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion CC(C)CC(=O)C(=O)[O-].NC1=CC=CC=C1C(=O)C[C@H]([NH3+])C(=O)[O-]>>NC1=C(C(=O)CC(=O)C(=O)[O-])C=CC=C1.CC(C)C[C@H]([NH3+])C(=O)[O-]
122 66080 66081; 66082 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion CCCC(=O)C(=O)[O-].NC1=CC=CC=C1C(=O)C[C@H]([NH3+])C(=O)[O-]>>CCC[C@H]([NH3+])C(=O)[O-].NC1=C(C(=O)CC(=O)C(=O)[O-])C=CC=C1
123 66088 66089; 66090 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion NC1=CC=CC=C1C(=O)C[C@H]([NH3+])C(=O)[O-].O=C([O-])CC(=O)C(=O)[O-]>>NC1=C(C(=O)CC(=O)C(=O)[O-])C=CC=C1.[NH3+][C@@H](CC(=O)[O-])C(=O)[O-]
124 66096 66097; 66098 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion O=C([O-])C(=O)CC1=CC=CC=C1.NC1=CC=CC=C1C(=O)C[C@H]([NH3+])C(=O)[O-]>>NC1=C(C(=O)CC(=O)C(=O)[O-])C=CC=C1.[NH3+][C@@H](CC1=CC=CC=C1)C(=O)[O-]
125 66104 66105; 66106 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion O=C([O-])C(=O)CC1=CC=C(O)C=C1.NC1=CC=CC=C1C(=O)C[C@H]([NH3+])C(=O)[O-]>>NC1=C(C(=O)CC(=O)C(=O)[O-])C=CC=C1.[NH3+][C@@H](CC1=CC=C(O)C=C1)C(=O)[O-]
126 66108 66109; 66110 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion CCC(=O)C(=O)[O-].[NH3+][C@@H](CS)C(=O)[O-]>>O=C([O-])C(=O)CS.CC[C@H]([NH3+])C(=O)[O-]
127 66112 66113; 66114 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion CCC(=O)C(=O)[O-].[NH3+][C@@H](CC1=CC=C(O)C=C1)C(=O)[O-]>>CC[C@H]([NH3+])C(=O)[O-].O=C([O-])C(=O)CC1=CC=C(O)C=C1
128 66116 66117; 66118 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion CCC(=O)C(=O)[O-].NC(=O)CC[C@H]([NH3+])C(=O)[O-]>>NC(=O)CCC(=O)C(=O)[O-].CC[C@H]([NH3+])C(=O)[O-]
129 66120 66121; 66122 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion CCC(=O)C(=O)[O-].CSCC[C@H]([NH3+])C(=O)[O-]>>CC[C@H]([NH3+])C(=O)[O-].CSCCC(=O)C(=O)[O-]
130 66124 66125; 66126 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion CCC(=O)C(=O)[O-].[NH3+][C@@H](CC1=CNC=N1)C(=O)[O-]>>O=C([O-])C(=O)CC1=CN=CN1.CC[C@H]([NH3+])C(=O)[O-]
131 66128 66129; 66130 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion CCC(=O)C(=O)[O-].[NH3+][C@@H](CC1=CC=CC=C1)C(=O)[O-]>>CC[C@H]([NH3+])C(=O)[O-].O=C([O-])C(=O)CC1=CC=CC=C1
132 67168 67169; 67170 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion [NH3+][C@@H](CC1=CC=CC(O)=C1)C(=O)[O-].O=C([O-])CCC(=O)C(=O)[O-]>>O=C([O-])C(=O)CC1=CC(O)=CC=C1.[NH3+][C@@H](CCC(=O)[O-])C(=O)[O-]
133 68372 68373; 68374 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion NC(=O)C[C@H]([NH3+])C(=O)[O-].CC(=O)C(=O)[O-]>>NC(=O)CC(=O)C(=O)[O-].C[C@H]([NH3+])C(=O)[O-]
134 68376 68377; 68378 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion NC(=O)C[C@H]([NH3+])C(=O)[O-].[H]C(=O)C(=O)[O-]>>NC(=O)CC(=O)C(=O)[O-].[NH3+]CC(=O)[O-]
135 68380 68381; 68382 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion O=C([O-])C(=O)CO.NC(=O)C[C@H]([NH3+])C(=O)[O-]>>NC(=O)CC(=O)C(=O)[O-].[NH3+][C@@H](CO)C(=O)[O-]
136 68708 68709; 68710 LR; RL 3.1.7.9 3.1.7 4 2 8 8 unclassified_unique_ec4 MCSA_954_1_0; MCSA_954_2_0 954 3.1.7.9 8 add:C~O:-,chg:C~C:->=,chg:C~C:=>-,del:C~O:- Arg38; Asp34; Tyr51; Tyr90 Arg38; Asp34; Tyr51; Tyr90 Arg38; Asp34; Tyr51; Tyr90 water + tuberculosinyl diphosphate(3-) -> diphosphate(3-) + (13R)-edaxadiene CC(C)=CCC/C(C)=C/COP(=O)([O-])OP(=O)([O-])[O-].[H]O[H]>>C=CC(C)(O)CCC=C(C)C.O=P([O-])([O-])OP(=O)([O-])O
137 68820 68821; 68822 LR; RL 3.1.7.9 3.1.7 4 2 8 8 unclassified_unique_ec4 MCSA_954_1_0; MCSA_954_2_0 954 3.1.7.9 8 add:C~O:-,chg:C~C:->=,chg:C~C:=>-,del:C~O:- Arg38; Asp34; Tyr51; Tyr90 Arg38; Asp34; Tyr51; Tyr90 Arg38; Asp34; Tyr51; Tyr90 water + tuberculosinyl diphosphate(3-) -> diphosphate(3-) + (13R)-edaxadiene CC(C)=CCC/C(C)=C/CC/C(C)=C\COP(=O)([O-])OP(=O)([O-])[O-].[H]O[H]>>C=CC(C)(O)CC/C=C(\C)CCC=C(C)C.O=P([O-])([O-])OP(=O)([O-])O
138 68832 68833; 68834 LR; RL 3.1.7.9 3.1.7 4 2 8 8 unclassified_unique_ec4 MCSA_954_1_0; MCSA_954_2_0 954 3.1.7.9 8 add:C~O:-,chg:C~C:->=,chg:C~C:=>-,del:C~O:- Arg38; Asp34; Tyr51; Tyr90 Arg38; Asp34; Tyr51; Tyr90 Arg38; Asp34; Tyr51; Tyr90 water + tuberculosinyl diphosphate(3-) -> diphosphate(3-) + (13R)-edaxadiene CC(C)=CCC/C(C)=C\CC/C(C)=C\COP(=O)([O-])OP(=O)([O-])[O-].[H]O[H]>>C=CC(C)(O)CC/C=C(/C)CCC=C(C)C.O=P([O-])([O-])OP(=O)([O-])O
139 69100 69101; 69102 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion CSCCC(=O)C(=O)[O-].NC1=CC=CC=C1C(=O)C[C@H]([NH3+])C(=O)[O-]>>NC1=C(C(=O)CC(=O)C(=O)[O-])C=CC=C1.CSCC[C@H]([NH3+])C(=O)[O-]
140 69108 69109; 69110 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion O=C([O-])C(=O)CS.NC1=CC=CC=C1C(=O)C[C@H]([NH3+])C(=O)[O-]>>NC1=C(C(=O)CC(=O)C(=O)[O-])C=CC=C1.[NH3+][C@@H](CS)C(=O)[O-]
141 69112 69113; 69114 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion [NH3+][C@@H](CCCC(=O)[O-])C(=O)[O-].[H]C(=O)C(=O)[O-]>>O=C([O-])CCCC(=O)C(=O)[O-].[NH3+]CC(=O)[O-]
142 69116 69117; 69118 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion [NH3+][C@@H](CC1=CC=C(O)C=C1)C(=O)[O-].[H]C(=O)C(=O)[O-]>>O=C([O-])C(=O)CC1=CC=C(O)C=C1.[NH3+]CC(=O)[O-]
143 69120 69121; 69122 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion [H]C(=O)C(=O)[O-].[NH3+][C@@H](CC1=CC=CC=C1)C(=O)[O-]>>O=C([O-])C(=O)CC1=CC=CC=C1.[NH3+]CC(=O)[O-]
144 69124 69125; 69126 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion [NH3+][C@@H](CC1=CNC2=C1C=CC=C2)C(=O)[O-].[H]C(=O)C(=O)[O-]>>O=C([O-])C(=O)CC1=CNC2=C1C=CC=C2.[NH3+]CC(=O)[O-]
145 69128 69129; 69130 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion CC(C)C[C@H]([NH3+])C(=O)[O-].[H]C(=O)C(=O)[O-]>>CC(C)CC(=O)C(=O)[O-].[NH3+]CC(=O)[O-]
146 69552 69553; 69554 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion O=C(CO)COP(=O)([O-])[O-].[NH3+][C@@H](CCC(=O)[O-])C(=O)[O-]>>[NH3+][C@@H](CO)COP(=O)([O-])[O-].O=C([O-])CCC(=O)C(=O)[O-]
147 70051 70052; 70053 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion O=C([O-])CCCC(=O)C(=O)[O-].NC1=CC=CC=C1C(=O)C[C@H]([NH3+])C(=O)[O-]>>NC1=C(C(=O)CC(=O)C(=O)[O-])C=CC=C1.[NH3+][C@@H](CCCC(=O)[O-])C(=O)[O-]
148 70167 70168; 70169 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion CN1C2=C(N=C(N)NC2=O)NC[C@@H]1CNC1=CC=C(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C=C1.[H+]>>CN1C2=C(N=C(N)NC2=O)NC[C@@H]1CNC1=CC=C(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C=C1.[H+]
149 70223 70224; 70225 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion CC[C@H]([NH3+])C(=O)[O-].O=C([O-])CCC(=O)C(=O)[O-]>>CCC(=O)C(=O)[O-].[NH3+][C@@H](CCC(=O)[O-])C(=O)[O-]
150 70295 70296; 70297 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion [NH3+][C@@H](CS(=O)[O-])C(=O)[O-].O=C([O-])CCC(=O)C(=O)[O-]>>O=C([O-])C(=O)CS(=O)[O-].[NH3+][C@@H](CCC(=O)[O-])C(=O)[O-]
151 75403 75404; 75405 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion [NH3+]CCC[NH3+].CC(=O)C(=O)[O-]>>[H]C(=O)CC[NH3+].C[C@H]([NH3+])C(=O)[O-]
152 76071 76072; 76073 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion [H][C@]1([C@@H](O)[C@H](C)O)CNC2=C(N1)C(=O)N/C(N)=N\2.O=C([O-])*C(=O)[O-]>>[H][C@]1([C@@H](O)[C@H](C)O)CNC2=C(N1)C(=O)N/C(N)=N\2.O=C([O-])*C(=O)[O-]
153 76075 76076; 76077 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion C[C@H](O)[C@H](O)C1=NC2=C(NC1)NC(N)=NC2=O.O=C([O-])*C(=O)[O-]>>C[C@H](O)[C@H](O)C1=NC2=C(NC1)NC(N)=NC2=O.O=C([O-])*C(=O)[O-]
154 76079 76080; 76081 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion C[C@H](O)C(=O)C1=NC2=C(N=C(N)NC2=O)NC1.O=C([O-])*C(=O)[O-]>>C[C@H](O)C(=O)C1=NC2=C(N=C(N)NC2=O)NC1.O=C([O-])*C(=O)[O-]
155 77303 77304; 77305 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion CN(C)C(=[NH2+])NCCC[C@H]([NH3+])C(=O)[O-].CC(=O)C(=O)[O-]>>CN(C)C(=[NH2+])NCCCC(=O)C(=O)[O-].C[C@H]([NH3+])C(=O)[O-]
156 77307 77308; 77309 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion CN/C(NCCC[C@H]([NH3+])C(=O)[O-])=[NH+]\C.CC(=O)C(=O)[O-]>>CN/C(NCCCC(=O)C(=O)[O-])=[NH+]/C.C[C@H]([NH3+])C(=O)[O-]
157 77311 77312; 77313 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion CN(C)C(=[NH2+])NCCC[C@H]([NH3+])C(=O)[O-].[H]C(=O)C(=O)[O-]>>CN(C)C(=[NH2+])NCCCC(=O)C(=O)[O-].[NH3+]CC(=O)[O-]
158 77315 77316; 77317 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion CN/C(NCCC[C@H]([NH3+])C(=O)[O-])=[NH+]\C.[H]C(=O)C(=O)[O-]>>CN/C(NCCCC(=O)C(=O)[O-])=[NH+]/C.[NH3+]CC(=O)[O-]
159 77319 77320; 77321 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion CNC(=[NH2+])NCCC[C@H]([NH3+])C(=O)[O-].CC(=O)C(=O)[O-]>>CNC(=[NH2+])NCCCC(=O)C(=O)[O-].C[C@H]([NH3+])C(=O)[O-]
160 77323 77324; 77325 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion CNC(=[NH2+])NCCC[C@H]([NH3+])C(=O)[O-].[H]C(=O)C(=O)[O-]>>CNC(=[NH2+])NCCCC(=O)C(=O)[O-].[NH3+]CC(=O)[O-]
161 77327 77328; 77329 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion [NH3+]CCC[C@H]([NH3+])C(=O)[O-].CC(=O)C(=O)[O-]>>[NH3+]CCCC(=O)C(=O)[O-].C[C@H]([NH3+])C(=O)[O-]
162 77331 77332; 77333 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion [NH3+]CCC[C@H]([NH3+])C(=O)[O-].[H]C(=O)C(=O)[O-]>>[NH3+]CCCC(=O)C(=O)[O-].[NH3+]CC(=O)[O-]
163 77339 77340; 77341 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion CC[C@H]([NH3+])C(=O)[O-].[H]C(=O)C(=O)[O-]>>CCC(=O)C(=O)[O-].[NH3+]CC(=O)[O-]
164 77343 77344; 77345 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion CN(C)C(=[NH2+])NCCC[C@H]([NH3+])C(=O)[O-].O=C([O-])CC(=O)C(=O)[O-]>>CN(C)C(=[NH2+])NCCCC(=O)C(=O)[O-].[NH3+][C@@H](CC(=O)[O-])C(=O)[O-]
165 77347 77348; 77349 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion O=C([O-])CC(=O)C(=O)[O-].C[C@H]([NH3+])C(=O)[O-]>>[NH3+][C@@H](CC(=O)[O-])C(=O)[O-].CC(=O)C(=O)[O-]
166 77351 77352; 77353 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion CN(C)C(=[NH2+])NCCC[C@H]([NH3+])C(=O)[O-].CCC(=O)C(=O)[O-]>>CN(C)C(=[NH2+])NCCCC(=O)C(=O)[O-].CC[C@H]([NH3+])C(=O)[O-]
167 77359 77360; 77361 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion CCCC(=O)C(=O)[O-].CN(C)C(=[NH2+])NCCC[C@H]([NH3+])C(=O)[O-]>>CN(C)C(=[NH2+])NCCCC(=O)C(=O)[O-].CCC[C@H]([NH3+])C(=O)[O-]
168 77363 77364; 77365 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion CCCCC(=O)C(=O)[O-].CN(C)C(=[NH2+])NCCC[C@H]([NH3+])C(=O)[O-]>>CCCC[C@H]([NH3+])C(=O)[O-].CN(C)C(=[NH2+])NCCCC(=O)C(=O)[O-]
169 78323 78324; 78325 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion [H]C(=O)C(=O)[O-].NC(=O)CC[C@H]([NH3+])C(=O)[O-]>>NC(=O)CCC(=O)C(=O)[O-].[NH3+]CC(=O)[O-]
170 78703 78704; 78705 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion CP(=O)([O-])CCC(=O)C(=O)[O-].[NH3+][C@@H](CCC(=O)[O-])C(=O)[O-]>>CP(=O)([O-])CC[C@H]([NH3+])C(=O)[O-].O=C([O-])CCC(=O)C(=O)[O-]
171 81615 81616; 81617 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion CC[C@H](C)[C@H]([NH3+])C(=O)[O-].[H]C(=O)C(=O)[O-]>>CC[C@H](C)C(=O)C(=O)[O-].[NH3+]CC(=O)[O-]
172 81619 81620; 81621 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion *[C@H]([NH3+])C(=O)[O-].[H]C(=O)C(=O)[O-]>>[1*]C(=O)C(=O)[O-].[NH3+]CC(=O)[O-]
173 81623 81624; 81625 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion [NH3+]CCCC[C@H]([NH3+])C(=O)[O-].[H]C(=O)C(=O)[O-]>>[NH3+]CCCCC(=O)C(=O)[O-].[NH3+]CC(=O)[O-]
174 81627 81628; 81629 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion CC(C)[C@H]([NH3+])C(=O)[O-].[H]C(=O)C(=O)[O-]>>CC(C)C(=O)C(=O)[O-].[NH3+]CC(=O)[O-]
175 81631 81632; 81633 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion [NH3+][C@@H](CS)C(=O)[O-].[H]C(=O)C(=O)[O-]>>O=C([O-])C(=O)CS.[NH3+]CC(=O)[O-]
176 81635 81636; 81637 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion CC(C)CC(=O)C(=O)[O-].C[C@H]([NH3+])C(=O)[O-]>>CC(C)C[C@H]([NH3+])C(=O)[O-].CC(=O)C(=O)[O-]
177 82415 82416; 82417 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion [NH3+][C@@H](CS)C(=O)[O-].CC(=O)C(=O)[O-]>>O=C([O-])C(=O)CS.C[C@H]([NH3+])C(=O)[O-]
178 82419 82420; 82421 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion NC1=C(O)C=CC=C1C(=O)C[C@H]([NH3+])C(=O)[O-].CCC(=O)C(=O)[O-]>>NC1=C(O)C=CC=C1C(=O)CC(=O)C(=O)[O-].CC[C@H]([NH3+])C(=O)[O-]
179 82423 82424; 82425 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion NC1=C(O)C=CC=C1C(=O)C[C@H]([NH3+])C(=O)[O-].CSCCC(=O)C(=O)[O-]>>NC1=C(O)C=CC=C1C(=O)CC(=O)C(=O)[O-].CSCC[C@H]([NH3+])C(=O)[O-]
180 82427 82428; 82429 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion NC1=C(O)C=CC=C1C(=O)C[C@H]([NH3+])C(=O)[O-].O=C([O-])CC(=O)C(=O)[O-]>>NC1=C(O)C=CC=C1C(=O)CC(=O)C(=O)[O-].[NH3+][C@@H](CC(=O)[O-])C(=O)[O-]
181 82431 82432; 82433 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion NC1=C(O)C=CC=C1C(=O)C[C@H]([NH3+])C(=O)[O-].O=C([O-])C(=O)CC1=CC=CC=C1>>NC1=C(O)C=CC=C1C(=O)CC(=O)C(=O)[O-].[NH3+][C@@H](CC1=CC=CC=C1)C(=O)[O-]
182 82787 82788; 82789 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion C[C@H]1O[C@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=CC(=O)NC3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1[NH3+].O=C([O-])CCC(=O)C(=O)[O-]>>C[C@H]1O[C@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=CC(=O)NC3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)C1=O.[NH3+][C@@H](CCC(=O)[O-])C(=O)[O-]
183 29647 29648; 29649 LR; RL 2.4.1.1 2.4.1 1 1 7 7 unclassified_unique_ec4 MCSA_205_1_0 205 2.4.1.1 7 add:C~O:-,del:C~O:- Lys568 Lys568 Arg569; His377; Lys568; Lys574; Lys680; Thr676 alpha-maltose + hydrogenphosphate -> alpha-D-glucose 1-phosphate(2-) + alpha-D-glucose OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O.O=P([O-])([O-])O>>OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]4CO)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O.O=P([O-])([O-])O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
184 29683 29684; 29685 LR; RL 2.4.1.1 2.4.1 1 1 7 7 unclassified_unique_ec4 MCSA_205_1_0 205 2.4.1.1 7 add:C~O:-,del:C~O:- Lys568 Lys568 Arg569; His377; Lys568; Lys574; Lys680; Thr676 alpha-maltose + hydrogenphosphate -> alpha-D-glucose 1-phosphate(2-) + alpha-D-glucose OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]6CO)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O.O=P([O-])([O-])O>>OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O.O=P([O-])([O-])O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
185 29691 29692; 29693 LR; RL 2.4.1.1 2.4.1 1 1 7 7 unclassified_unique_ec4 MCSA_205_1_0 205 2.4.1.1 7 add:C~O:-,del:C~O:- Lys568 Lys568 Arg569; His377; Lys568; Lys574; Lys680; Thr676 alpha-maltose + hydrogenphosphate -> alpha-D-glucose 1-phosphate(2-) + alpha-D-glucose OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]4CO)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O.O=P([O-])([O-])O>>OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O.O=P([O-])([O-])O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
186 52460 52461; 52462 LR; RL 2.4.1.1 2.4.1 1 1 7 7 unclassified_unique_ec4 MCSA_205_1_0 205 2.4.1.1 7 add:C~O:-,del:C~O:- Lys568 Lys568 Arg569; His377; Lys568; Lys574; Lys680; Thr676 alpha-maltose + hydrogenphosphate -> alpha-D-glucose 1-phosphate(2-) + alpha-D-glucose [H][C@@]12CCC3=C(C=CC(O[C@@H]4O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]4O)=C3)[C@@]1([H])CC[C@]1(C)[C@@H](O)CC[C@@]21[H].O=C1C=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]2O)C(=O)N1.[H+]>>[H][C@@]12CCC3=CC(O)=CC=C3[C@@]1([H])CC[C@]1(C)[C@@H](O)CC[C@@]21[H].O=C1C=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]3O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)C(=O)N1
187 52464 52465; 52466 LR; RL 2.4.1.1 2.4.1 1 1 7 7 unclassified_unique_ec4 MCSA_205_1_0 205 2.4.1.1 7 add:C~O:-,del:C~O:- Lys568 Lys568 Arg569; His377; Lys568; Lys574; Lys680; Thr676 alpha-maltose + hydrogenphosphate -> alpha-D-glucose 1-phosphate(2-) + alpha-D-glucose [H][C@@]12CCC3=C(C=CC(O)=C3)[C@@]1([H])CC[C@]1(C)[C@@H](O[C@@H]3O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]3O)CC[C@@]21[H].O=C1C=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]2O)C(=O)N1.[H+]>>[H][C@@]12CCC3=CC(O)=CC=C3[C@@]1([H])CC[C@]1(C)[C@@H](O)CC[C@@]21[H].O=C1C=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]3O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)C(=O)N1
188 53040 53041; 53042 LR; RL 2.4.1.1 2.4.1 1 1 7 7 unclassified_unique_ec4
189 56320 56321; 56322 LR; RL 2.4.1.1 2.4.1 1 1 7 7 unclassified_unique_ec4 MCSA_205_1_0 205 2.4.1.1 7 add:C~O:-,del:C~O:- Lys568 Lys568 Arg569; His377; Lys568; Lys574; Lys680; Thr676 alpha-maltose + hydrogenphosphate -> alpha-D-glucose 1-phosphate(2-) + alpha-D-glucose *C1=CC2=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(*)=C(*)C=C2[O+]=C1C1=CC(*)=C(*)C(*)=C1.O=C1C=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]2O)C(=O)N1.[H+]>>*C1=CC2=C(O)C(*)=C(*)C=C2[O+]=C1C1=CC(*)=C(*)C(*)=C1.O=C1C=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)C(=O)N1
190 57468 57469; 57470 LR; RL 2.4.1.1 2.4.1 1 1 7 7 unclassified_unique_ec4 MCSA_205_1_0 205 2.4.1.1 7 add:C~O:-,del:C~O:- Lys568 Lys568 Arg569; His377; Lys568; Lys574; Lys680; Thr676 alpha-maltose + hydrogenphosphate -> alpha-D-glucose 1-phosphate(2-) + alpha-D-glucose COC1=CC(/C=C/C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=CC=C1O.O=C1C=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]2O)C(=O)N1>>COC1=C(O)C=CC(/C=C/C(=O)[O-])=C1.O=C1C=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)C(=O)N1
191 57708 57709; 57710 LR; RL 2.4.1.1 2.4.1 1 1 7 7 unclassified_unique_ec4 MCSA_205_1_0 205 2.4.1.1 7 add:C~O:-,del:C~O:- Lys568 Lys568 Arg569; His377; Lys568; Lys574; Lys680; Thr676 alpha-maltose + hydrogenphosphate -> alpha-D-glucose 1-phosphate(2-) + alpha-D-glucose COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=CC(/C=C/C=O)=C1.O=C1C=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]2O)C(=O)N1.[H+]>>COC1=CC(/C=C/C=O)=CC=C1O.O=C1C=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)C(=O)N1
192 61164 61165; 61166 LR; RL 2.4.1.1 2.4.1 1 1 7 7 unclassified_unique_ec4 MCSA_205_1_0 205 2.4.1.1 7 add:C~O:-,del:C~O:- Lys568 Lys568 Arg569; His377; Lys568; Lys574; Lys680; Thr676 alpha-maltose + hydrogenphosphate -> alpha-D-glucose 1-phosphate(2-) + alpha-D-glucose C[C@@H]1O[C@@H](OC2=C(C3=CC=C(O)C=C3)OC3=C(C2=O)C(O)=CC([O-])=C3)[C@H](O)[C@H](O)[C@H]1O.O=C1C=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]2O)C(=O)N1.[H+]>>O=C1C([O-])=C(C2=CC=C(O)C=C2)OC2=C1C(O)=CC(O)=C2.C[C@@H]1O[C@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=CC(=O)NC3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
193 62312 62313; 62314 LR; RL 2.4.1.1 2.4.1 1 1 7 7 unclassified_unique_ec4 MCSA_205_1_0 205 2.4.1.1 7 add:C~O:-,del:C~O:- Lys568 Lys568 Arg569; His377; Lys568; Lys574; Lys680; Thr676 alpha-maltose + hydrogenphosphate -> alpha-D-glucose 1-phosphate(2-) + alpha-D-glucose O=C([O-])C1=CC=CC=C1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.O=C1C=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]2O)C(=O)N1.[H+]>>O=C([O-])C1=C(O)C=CC=C1.O=C1C=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)C(=O)N1
194 62316 62317; 62318 LR; RL 2.4.1.1 2.4.1 1 1 7 7 unclassified_unique_ec4 MCSA_205_1_0 205 2.4.1.1 7 add:C~O:-,del:C~O:- Lys568 Lys568 Arg569; His377; Lys568; Lys574; Lys680; Thr676 alpha-maltose + hydrogenphosphate -> alpha-D-glucose 1-phosphate(2-) + alpha-D-glucose O=C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C1=CC=CC=C1O.O=C1C=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]2O)C(=O)N1>>O=C([O-])C1=C(O)C=CC=C1.O=C1C=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)C(=O)N1
195 75903 75904; 75905 LR; RL 2.4.1.1 2.4.1 1 1 7 7 unclassified_unique_ec4 MCSA_205_1_0 205 2.4.1.1 7 add:C~O:-,del:C~O:- Lys568 Lys568 Arg569; His377; Lys568; Lys574; Lys680; Thr676 alpha-maltose + hydrogenphosphate -> alpha-D-glucose 1-phosphate(2-) + alpha-D-glucose *N[C@@H](CO[C@H]1O[C@]([H])([C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]1O)C(*)=O.NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O.[H+]>>[H][C@]1([C@H](O)CO)O[C@@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O.*N[C@@H](CO)C(*)=O
196 75907 75908; 75909 LR; RL 2.4.1.1 2.4.1 1 1 7 7 unclassified_unique_ec4 MCSA_205_1_0 205 2.4.1.1 7 add:C~O:-,del:C~O:- Lys568 Lys568 Arg569; His377; Lys568; Lys574; Lys680; Thr676 alpha-maltose + hydrogenphosphate -> alpha-D-glucose 1-phosphate(2-) + alpha-D-glucose *N[C@@H](CO[C@H]1O[C@]([H])([C@@H](O)CO)[C@@H](O)[C@H](O)[C@@H]1O)C(*)=O.NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O.[H+]>>[H][C@]1([C@@H](O)CO)O[C@@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O.*N[C@@H](CO)C(*)=O
197 79235 79236; 79237 LR; RL 4.3.1.24 4.3.1 1 1 7 7 unclassified_unique_ec4 MCSA_708_1_0 708 4.3.1.24 7 chg:C~C:->=,del:C~N:- Tyr351 Tyr351 Asp351; Gly400; Tyr110 L-phenylalanine zwitterion -> trans-cinnamate + ammonium COC1=CC=C(C[C@H]([NH3+])C(=O)[O-])C=C1OC>>COC1=CC=C(/C=C/C(=O)[O-])C=C1OC.[H][N+]([H])([H])[H]
198 83943 83944; 83945 LR; RL 4.3.1.24 4.3.1 1 1 7 7 unclassified_unique_ec4 MCSA_708_1_0 708 4.3.1.24 7 chg:C~C:->=,del:C~N:- Tyr351 Tyr351 Asp351; Gly400; Tyr110 L-phenylalanine zwitterion -> trans-cinnamate + ammonium CN1C=NC(C[C@H]([NH3+])C(=O)[O-])=C1>>CN1C=NC(/C=C/C(=O)[O-])=C1.[H][N+]([H])([H])[H]
199 84047 84048; 84049 LR; RL 4.3.1.24 4.3.1 1 1 7 7 unclassified_unique_ec4 MCSA_708_1_0 708 4.3.1.24 7 chg:C~C:->=,del:C~N:- Tyr351 Tyr351 Asp351; Gly400; Tyr110 L-phenylalanine zwitterion -> trans-cinnamate + ammonium C[N+](C)(C)[C@@H](CC1=CNC(=S)N1)C(=O)[O-]>>O=C([O-])/C=C/C1=CNC(=S)N1.C[NH+](C)C
200 85603 85604; 85605 LR; RL 4.2.1.84 4.2.1 1 1 7 7 unclassified_unique_ec4 MCSA_57_1_0 57 4.2.1.84 7 add:C~O:=,chg:C~N:#>- Arg56; Cys109; Ser113; Tyr72 Arg56; Cys109; Ser113; Tyr72 Arg56; Cys109; Cys112; Cys114; Ser113; Tyr72; Tyr76 nitrile + water -> aliphatic amide CC#N.[H]O[H]>>CC(N)=O
201 85607 85608; 85609 LR; RL 4.2.1.84 4.2.1 1 1 7 7 unclassified_unique_ec4 MCSA_57_1_0 57 4.2.1.84 7 add:C~O:=,chg:C~N:#>- Arg56; Cys109; Ser113; Tyr72 Arg56; Cys109; Ser113; Tyr72 Arg56; Cys109; Cys112; Cys114; Ser113; Tyr72; Tyr76 nitrile + water -> aliphatic amide CCC#N.[H]O[H]>>CCC(N)=O
202 85611 85612; 85613 LR; RL 4.2.1.84 4.2.1 1 1 7 7 unclassified_unique_ec4 MCSA_57_1_0 57 4.2.1.84 7 add:C~O:=,chg:C~N:#>- Arg56; Cys109; Ser113; Tyr72 Arg56; Cys109; Ser113; Tyr72 Arg56; Cys109; Cys112; Cys114; Ser113; Tyr72; Tyr76 nitrile + water -> aliphatic amide C=CC#N.[H]O[H]>>C=CC(N)=O
203 85643 85644; 85645 LR; RL 4.2.1.84 4.2.1 1 1 7 7 unclassified_unique_ec4 MCSA_57_1_0 57 4.2.1.84 7 add:C~O:=,chg:C~N:#>- Arg56; Cys109; Ser113; Tyr72 Arg56; Cys109; Ser113; Tyr72 Arg56; Cys109; Cys112; Cys114; Ser113; Tyr72; Tyr76 nitrile + water -> aliphatic amide N#CCO.[H]O[H]>>NC(=O)CO
204 85647 85648; 85649 LR; RL 4.2.1.84 4.2.1 1 1 7 7 unclassified_unique_ec4 MCSA_57_1_0 57 4.2.1.84 7 add:C~O:=,chg:C~N:#>- Arg56; Cys109; Ser113; Tyr72 Arg56; Cys109; Ser113; Tyr72 Arg56; Cys109; Cys112; Cys114; Ser113; Tyr72; Tyr76 nitrile + water -> aliphatic amide COCC#N.[H]O[H]>>COCC(N)=O
205 85651 85652; 85653 LR; RL 4.2.1.84 4.2.1 1 1 7 7 unclassified_unique_ec4 MCSA_57_1_0 57 4.2.1.84 7 add:C~O:=,chg:C~N:#>- Arg56; Cys109; Ser113; Tyr72 Arg56; Cys109; Ser113; Tyr72 Arg56; Cys109; Cys112; Cys114; Ser113; Tyr72; Tyr76 nitrile + water -> aliphatic amide CCCC#N.[H]O[H]>>CCCC(N)=O
206 85655 85656; 85657 LR; RL 4.2.1.84 4.2.1 1 1 7 7 unclassified_unique_ec4 MCSA_57_1_0 57 4.2.1.84 7 add:C~O:=,chg:C~N:#>- Arg56; Cys109; Ser113; Tyr72 Arg56; Cys109; Ser113; Tyr72 Arg56; Cys109; Cys112; Cys114; Ser113; Tyr72; Tyr76 nitrile + water -> aliphatic amide C=C(C)C#N.[H]O[H]>>C=C(C)C(N)=O
207 85659 85660; 85661 LR; RL 4.2.1.84 4.2.1 1 1 7 7 unclassified_unique_ec4 MCSA_57_1_0 57 4.2.1.84 7 add:C~O:=,chg:C~N:#>- Arg56; Cys109; Ser113; Tyr72 Arg56; Cys109; Ser113; Tyr72 Arg56; Cys109; Cys112; Cys114; Ser113; Tyr72; Tyr76 nitrile + water -> aliphatic amide N#CC1=CC=CN=C1.[H]O[H]>>NC(=O)C1=CC=CN=C1
208 85663 85664; 85665 LR; RL 4.2.1.84 4.2.1 1 1 7 7 unclassified_unique_ec4 MCSA_57_1_0 57 4.2.1.84 7 add:C~O:=,chg:C~N:#>- Arg56; Cys109; Ser113; Tyr72 Arg56; Cys109; Ser113; Tyr72 Arg56; Cys109; Cys112; Cys114; Ser113; Tyr72; Tyr76 nitrile + water -> aliphatic amide N#CC1=CC=NC=C1.[H]O[H]>>NC(=O)C1=CC=NC=C1
209 85667 85668; 85669 LR; RL 4.2.1.84 4.2.1 1 1 7 7 unclassified_unique_ec4 MCSA_57_1_0 57 4.2.1.84 7 add:C~O:=,chg:C~N:#>- Arg56; Cys109; Ser113; Tyr72 Arg56; Cys109; Ser113; Tyr72 Arg56; Cys109; Cys112; Cys114; Ser113; Tyr72; Tyr76 nitrile + water -> aliphatic amide N#CC1=CC=CC=C1.[H]O[H]>>NC(=O)C1=CC=CC=C1
210 85671 85672; 85673 LR; RL 4.2.1.84 4.2.1 1 1 7 7 unclassified_unique_ec4 MCSA_57_1_0 57 4.2.1.84 7 add:C~O:=,chg:C~N:#>- Arg56; Cys109; Ser113; Tyr72 Arg56; Cys109; Ser113; Tyr72 Arg56; Cys109; Cys112; Cys114; Ser113; Tyr72; Tyr76 nitrile + water -> aliphatic amide C/C=C/C#N.[H]O[H]>>C/C=C/C(N)=O
211 85675 85676; 85677 LR; RL 4.2.1.84 4.2.1 1 1 7 7 unclassified_unique_ec4 MCSA_57_1_0 57 4.2.1.84 7 add:C~O:=,chg:C~N:#>- Arg56; Cys109; Ser113; Tyr72 Arg56; Cys109; Ser113; Tyr72 Arg56; Cys109; Cys112; Cys114; Ser113; Tyr72; Tyr76 nitrile + water -> aliphatic amide N#CC1CC1.[H]O[H]>>NC(=O)C1CC1
212 85691 85692; 85693 LR; RL 4.2.1.84 4.2.1 1 1 7 7 unclassified_unique_ec4 MCSA_57_1_0 57 4.2.1.84 7 add:C~O:=,chg:C~N:#>- Arg56; Cys109; Ser113; Tyr72 Arg56; Cys109; Ser113; Tyr72 Arg56; Cys109; Cys112; Cys114; Ser113; Tyr72; Tyr76 nitrile + water -> aliphatic amide N#CCCO.[H]O[H]>>NC(=O)CCO
213 85695 85696; 85697 LR; RL 4.2.1.84 4.2.1 1 1 7 7 unclassified_unique_ec4 MCSA_57_1_0 57 4.2.1.84 7 add:C~O:=,chg:C~N:#>- Arg56; Cys109; Ser113; Tyr72 Arg56; Cys109; Ser113; Tyr72 Arg56; Cys109; Cys112; Cys114; Ser113; Tyr72; Tyr76 nitrile + water -> aliphatic amide N#CCCl.[H]O[H]>>NC(=O)CCl
214 85699 85700; 85701 LR; RL 4.2.1.84 4.2.1 1 1 7 7 unclassified_unique_ec4 MCSA_57_1_0 57 4.2.1.84 7 add:C~O:=,chg:C~N:#>- Arg56; Cys109; Ser113; Tyr72 Arg56; Cys109; Ser113; Tyr72 Arg56; Cys109; Cys112; Cys114; Ser113; Tyr72; Tyr76 nitrile + water -> aliphatic amide *C#N.[H]O[H]>>*C(=O)N([H])[H]
215 85703 85704; 85705 LR; RL 4.2.1.84 4.2.1 1 1 7 7 unclassified_unique_ec4 MCSA_57_1_0 57 4.2.1.84 7 add:C~O:=,chg:C~N:#>- Arg56; Cys109; Ser113; Tyr72 Arg56; Cys109; Ser113; Tyr72 Arg56; Cys109; Cys112; Cys114; Ser113; Tyr72; Tyr76 nitrile + water -> aliphatic amide N#CCC1=CN/C2=C\C=C/C=C\12.[H]O[H]>>NC(=O)CC1=CNC2=CC=CC=C12
216 85839 85840; 85841 LR; RL 2.4.1.1 2.4.1 1 1 7 7 unclassified_unique_ec4 MCSA_205_1_0 205 2.4.1.1 7 add:C~O:-,del:C~O:- Lys568 Lys568 Arg569; His377; Lys568; Lys574; Lys680; Thr676 alpha-maltose + hydrogenphosphate -> alpha-D-glucose 1-phosphate(2-) + alpha-D-glucose O=C([O-])C1=CC=C(O)C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C1.O=C1C=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]2O)C(=O)N1.[H+]>>O=C([O-])C1=CC(O)=C(O)C=C1.O=C1C=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)C(=O)N1
217 26132 26133; 26134 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue [H]C(CO)(CO)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC.[H]O[H]>>OCC(O)CO.CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)[O-].[H+]
218 32871 32872; 32873 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue [1*]C(=O)OC(CO)CO.[H]O[H]>>[1*]C(=O)[O-].OCC(O)CO.[H+]
219 32875 32876; 32877 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue *C(=O)OC[C@@H](O)CO.[H]O[H]>>OCC(O)CO.*C(=O)[O-].[H+]
220 32935 32936; 32937 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue [1*]C(=O)OC[C@H](COP(=O)([O-])OCC(O)COP(=O)([O-])OC[C@@H](COC([3*])=O)OC([4*])=O)OC([2*])=O.[H]O[H]>>[1*]C(=O)OC[C@H](COP(=O)([O-])OCC(O)COP(=O)([O-])OC[C@H](O)COC([3*])=O)OC([2*])=O.*C(=O)[O-].[H+]
221 33271 33272; 33273 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue [1*]C(=O)OC[C@H](COC([3*])=O)OC([2*])=O.[H]O[H]>>[1*]C(=O)OC[C@H](CO)OC([2*])=O.*C(=O)[O-].[H+]
222 33611 33612; 33613 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue COC(=O)C1=C(O)C=CC=C1.[H]O[H]>>O=C([O-])C1=C(O)C=CC=C1.CO.[H+]
223 34019 34020; 34021 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue *C(=O)OCC(O)CO.[H]O[H]>>OCC(O)CO.*C(=O)[O-].[H+]
224 34359 34360; 34361 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue [1*]C(=O)OCC(CO)OC([2*])=O.[H]O[H]>>[1*]C(=O)OC(CO)CO.[1*]C(=O)[O-].[H+]
225 35667 35668; 35669 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue [1*]C(=O)OCC(COC([3*])=O)OC([2*])=O.[H]O[H]>>[1*]C(=O)OCC(CO)OC([2*])=O.*C(=O)[O-].[H+]
226 36367 36368; 36369 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue O=C1CC[C@@H](C(=O)[O-])O1.[H]O[H]>>O=C([O-])CCC(O)C(=O)[O-].[H+]
227 38363 38364; 38365 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCCCCCCCCCCCC(=O)OCC(O)CO.[H]O[H]>>CCCCCCCCCCCCCCCCCC(=O)[O-].OCC(O)CO.[H+]
228 38379 38380; 38381 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCC/C=C\CCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC.CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[H+]>>CCCCCCCC/C=C\CCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCC/C=C\CCCCCCCC.[H]O[H]
229 38383 38384; 38385 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](CO)OC(=O)CCCCCCC/C=C\CCCCCCCC.[H]O[H]>>CCCCCCCC/C=C\CCCCCCCC(=O)OC(CO)CO.CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[H+]
230 38387 38388; 38389 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCC/C=C\CCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCC/C=C\CCCCCCCC.[H]O[H]>>CCCCCCCC/C=C\CCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC/C=C\CCCCCCCC.CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[H+]
231 38391 38392; 38393 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCC/C=C\CCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCC/C=C\CCCCCCCC.[H]O[H]>>CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](CO)OC(=O)CCCCCCC/C=C\CCCCCCCC.CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[H+]
232 38395 38396; 38397 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCC/C=C\CCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C\CCCCCC)OC(=O)CCCCCCC/C=C\CCCCCC.[H]O[H]>>CCCCCC/C=C\CCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC/C=C\CCCCCC.CCCCCC/C=C\CCCCCCCC(=O)[O-].[H+]
233 38399 38400; 38401 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCC/C=C\CCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C\CCCCCC)OC(=O)CCCCCCC/C=C\CCCCCC.[H]O[H]>>CCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](CO)OC(=O)CCCCCCC/C=C\CCCCCC.CCCCCC/C=C\CCCCCCCC(=O)[O-].[H+]
234 38403 38404; 38405 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC.[H]O[H]>>CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC.CCCCC/C=C\C/C=C\CCCCCCCC(=O)[O-].[H+]
235 38407 38408; 38409 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC.[H]O[H]>>CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](CO)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC.CCCCC/C=C\C/C=C\CCCCCCCC(=O)[O-].[H+]
236 38411 38412; 38413 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC.[H]O[H]>>CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC.CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)[O-].[H+]
237 38415 38416; 38417 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC.[H]O[H]>>CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](CO)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC.CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)[O-].[H+]
238 38419 38420; 38421 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCC/C=C\CCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC.[H]O[H]>>CCCCCCCC/C=C\CCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC/C=C\CCCCCCCC.CCCCCCCCCCCCCCCC(=O)[O-].[H+]
239 38423 38424; 38425 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC/C=C\CCCCCCCC.[H]O[H]>>CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COC(=O)CCCCCCCCCCCCCCC.CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[H+]
240 38427 38428; 38429 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC/C=C\CCCCCCCC.[H]O[H]>>CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](CO)OC(=O)CCCCCCC/C=C\CCCCCCCC.CCCCCCCCCCCCCCCC(=O)[O-].[H+]
241 38431 38432; 38433 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCC/C=C\CCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC.[H]O[H]>>CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](CO)OC(=O)CCCCCCCCCCCCCCC.CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[H+]
242 38483 38484; 38485 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue [1*]C(=O)OC[C@@H](CO)OC([2*])=O.[H]O[H]>>[1*]C(=O)OC(CO)CO.*C(=O)[O-].[H+]
243 38487 38488; 38489 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCC/C=C\CCCCCCCC(=O)OCC(O)CO.[H]O[H]>>OCC(O)CO.CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[H+]
244 38491 38492; 38493 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCC/C=C\CCCCCCCC(=O)OC(CO)CO.[H]O[H]>>OCC(O)CO.CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[H+]
245 38495 38496; 38497 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue [1*]C(=O)OCC(COC([3*])=O)OC([2*])=O.[H]O[H]>>[1*]C(=O)OCC(O)COC([2*])=O.*C(=O)[O-].[H+]
246 38499 38500; 38501 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue [1*]C(=O)OC[C@H](COC([3*])=O)OC([2*])=O.[H]O[H]>>[1*]C(=O)OC[C@@H](CO)OC([2*])=O.*C(=O)[O-].[H+]
247 38503 38504; 38505 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue [1*]C(=O)OC[C@@H](O)COC([2*])=O.[H]O[H]>>*C(=O)OC[C@@H](O)CO.*C(=O)[O-].[H+]
248 38507 38508; 38509 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCCCCCC.[H]O[H]>>[H]C(CO)(CO)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC.CCCCCCCCCCCCCCCCCC(=O)[O-].[H+]
249 38511 38512; 38513 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\CCCCCCCC.[H]O[H]>>CCCCCCCC/C=C\CCCCCCCC(=O)OC(CO)CO.CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[H+]
250 38515 38516; 38517 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\CCCCCCCC.[H]O[H]>>[H]C(CO)(CO)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC.CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[H+]
251 38519 38520; 38521 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCCCCCC.[H]O[H]>>CCCCCCCCCCCCCCCCCC(=O)OC(CO)CO.CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[H+]
252 38523 38524; 38525 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\CCCCCCCC.[H]O[H]>>CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC(CO)CO.CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[H+]
253 38527 38528; 38529 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCO[C@@H](CO)COC(=O)CCCCCCC/C=C\CCCCCCCC.[H]O[H]>>CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCOC(CO)CO.CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[H+]
254 38595 38596; 38597 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCC/C=C\CCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC/C=C\CCCCCCCC.[H]O[H]>>CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)CO.CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[H+]
255 38643 38644; 38645 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC/C=C\CCCCCCCC.[H]O[H]>>CCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](CO)COC(=O)CCCCCCCCCCCCCCC.CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[H+]
256 38647 38648; 38649 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC/C=C\CCCCCCCC.[H]O[H]>>CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](O)COC(=O)CCCCCCCCCCCCCCC.CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[H+]
257 38651 38652; 38653 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCC/C=C\CCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC/C=C\CCCCCCCC.[H]O[H]>>CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](O)CO.CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[H+]
258 38659 38660; 38661 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCC/C=C\CCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC.[H]O[H]>>CCCCCCCC/C=C\CCCCCCCC(=O)OC(CO)CO.CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[H+]
259 39723 39724; 39725 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue [1*]C(=O)OC[C@H](CO)OC([2*])=O>>[1*]C(=O)OC[C@H](CO)OC([2*])=O
260 39931 39932; 39933 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCC/C=C\CCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCC/C=C\CCCCCCCC.[H]O[H]>>CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\CCCCCCCC.CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[H+]
261 39939 39940; 39941 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCC/C=C\CCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC/C=C\CCCCCCCC.[H]O[H]>>CCCCCCCC/C=C\CCCCCCCC(=O)OCC(O)CO.CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[H+]
262 39959 39960; 39961 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCCCCCCCCCC(=O)OCC(O)CO.[H]O[H]>>OCC(O)CO.CCCCCCCCCCCCCCCC(=O)[O-].[H+]
263 39963 39964; 39965 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCCCCCCCCCC(=O)OC(CO)CO.[H]O[H]>>OCC(O)CO.CCCCCCCCCCCCCCCC(=O)[O-].[H+]
264 40047 40048; 40049 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCC(=O)OCC(COC(=O)CCCCCCC)OC(=O)CCCCCCC.[H]O[H]>>CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC.CCCCCCCC(=O)[O-].[H+]
265 40055 40056; 40057 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCC(=O)OCC(COC(=O)CCCCCCC)OC(=O)CCCCCCC.[H]O[H]>>[H][C@@](CO)(COC(=O)CCCCCCC)OC(=O)CCCCCCC.CCCCCCCC(=O)[O-].[H+]
266 40603 40604; 40605 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](O)CO.[H]O[H]>>CCCCC/C=C\C/C=C\CCCCCCCC(=O)[O-].OCC(O)CO.[H+]
267 40607 40608; 40609 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCCCCCCCC(=O)OC[C@@H](O)CO.[H]O[H]>>CCCCCCCCCCCCCC(=O)[O-].OCC(O)CO.[H+]
268 40611 40612; 40613 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCC(=O)OCC(COC(=O)CCCCC)OC(=O)CCCCC.[H]O[H]>>CCCCCC(=O)OC[C@@H](CO)OC(=O)CCCCC.CCCCCC(=O)[O-].[H+]
269 40615 40616; 40617 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC)OC(=O)CCCCCCCCC.[H]O[H]>>CCCCCCCCCC(=O)OC[C@@H](CO)OC(=O)CCCCCCCCC.CCCCCCCCCC(=O)[O-].[H+]
270 40619 40620; 40621 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCC.[H]O[H]>>CCCCCCCCCCCC(=O)OC[C@@H](CO)OC(=O)CCCCCCCCCCC.CCCCCCCCCCCC(=O)[O-].[H+]
271 40623 40624; 40625 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC.[H]O[H]>>CCCCCCCCCCCCCC(=O)OC[C@@H](CO)OC(=O)CCCCCCCCCCCCC.CCCCCCCCCCCCCC(=O)[O-].[H+]
272 40627 40628; 40629 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC.[H]O[H]>>CCCCCCCCCCCCCCCC(=O)OC[C@@H](CO)OC(=O)CCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCC(=O)[O-].[H+]
273 40631 40632; 40633 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC.[H]O[H]>>CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](CO)OC(=O)CCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCCC(=O)[O-].[H+]
274 40635 40636; 40637 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCC/C=C\CCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC.[H]O[H]>>CCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](CO)COC(=O)CCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCC(=O)[O-].[H+]
275 40979 40980; 40981 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCC/C=C\CCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC.[H]O[H]>>CCCCCCCC/C=C\CCCCCCCC(=O)OC(CO)COC(=O)CCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCC(=O)[O-].[H+]
276 40983 40984; 40985 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCC/C=C\CCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC.[H]O[H]>>CCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCCCCCC.CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[H+]
277 41103 41104; 41105 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC.[H]O[H]>>CCCCCCCCCCCCCCCCCC(=O)OC[C@H](O)COC(=O)CCCCCCCCCCCCCCC.CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[H+]
278 41107 41108; 41109 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC.[H]O[H]>>CCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](CO)COC(=O)CCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCC(=O)[O-].[H+]
279 41111 41112; 41113 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC.[H]O[H]>>CCCCCCCC/C=C\CCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCCC(=O)[O-].[H+]
280 42480 42481; 42482 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue O=C(/C=C\C=C(\O)C(=O)[O-])OC1=C(O)C=CC=C1.[H]O[H]>>O=C([O-])/C=C/C=C(\O)C(=O)[O-].OC1=C(O)C=CC=C1.[H+]
281 42516 42517; 42518 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue [H][C@]1([C@@H](O)CO)OC(=O)[C@@H](O)[C@H]1O.[H]O[H]>>O=C([O-])[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO.[H+]
282 43732 43733; 43734 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue [1*]C(=O)OC[C@H](COC([3*])=O)OC([2*])=O.[H]O[H]>>[1*]C(=O)OC[C@@H](O)COC([2*])=O.*C(=O)[O-].[H+]
283 44312 44313; 44314 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCCCCCCCC(=O)OCC(O)CO.[H]O[H]>>CCCCCCCCCCCCCC(=O)[O-].OCC(O)CO.[H+]
284 44316 44317; 44318 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCCCCCC(=O)OCC(O)CO.[H]O[H]>>CCCCCCCCCCCC(=O)[O-].OCC(O)CO.[H+]
285 44320 44321; 44322 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCCCC(=O)OCC(O)CO.[H]O[H]>>CCCCCCCCCC(=O)[O-].OCC(O)CO.[H+]
286 44324 44325; 44326 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCC(=O)OCC(O)CO.[H]O[H]>>CCCC(=O)[O-].OCC(O)CO.[H+]
287 44328 44329; 44330 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCC(=O)OCC(O)CO.[H]O[H]>>CCCCCCCC(=O)[O-].OCC(O)CO.[H+]
288 44616 44617; 44618 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue [1*]C(=O)OC[C@H](COP(=O)([O-])OCC(O)COP(=O)([O-])OC[C@H](O)COC([3*])=O)OC([2*])=O.[H]O[H]>>*C(=O)OC[C@@H](O)COP(=O)([O-])OCC(O)COP(=O)([O-])OC[C@H](O)COC(*)=O.*C(=O)[O-].[H+]
289 44688 44689; 44690 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue [1*]C(=O)OC(CO)CO.[H]O[H]>>OCC(O)CO.*C(=O)[O-].[H+]
290 44728 44729; 44730 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OCC(O)CO.[H]O[H]>>OCC(O)CO.CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)[O-].[H+]
291 44732 44733; 44734 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC(CO)CO.[H]O[H]>>CCCCC/C=C\C/C=C\CCCCCCCC(=O)[O-].OCC(O)CO.[H+]
292 44864 44865; 44866 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue [1*]C(=O)OC[C@H](COC([3*])=O)OC([2*])=O.[H]O[H]>>[1*]C(=O)OCC(CO)OC([2*])=O.*C(=O)[O-].[H+]
293 44876 44877; 44878 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue [1*]C(=O)OCC(O)COC([2*])=O.[H]O[H]>>*C(=O)OC[C@H](O)CO.*C(=O)[O-].[H+]
294 44940 44941; 44942 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue *OC[C@H](COC(*)=O)OC(*)=O.[H]O[H]>>[1*]OC[C@@H](O)COC([3*])=O.*C(=O)[O-].[H+]
295 44944 44945; 44946 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue [1*]OC[C@@H](O)COC([3*])=O.[H]O[H]>>*OC[C@@H](O)CO.*C(=O)[O-].[H+]
296 44948 44949; 44950 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue *OC[C@H](COC(*)=O)OC(*)=O.[H]O[H]>>*C(=O)O[C@@H](CO)CO[1*].*C(=O)[O-].[H+]
297 45412 45413; 45414 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCC[C@H](O)/C=C/[C@H]1C(=O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)OCC(O)CO.[H]O[H]>>CCCCC[C@H](O)/C=C/[C@H]1C(=O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)[O-].OCC(O)CO.[H+]
298 45416 45417; 45418 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCC/C=C/C=C1/C(=O)C=C[C@@H]1C/C=C\CCCC(=O)OC(CO)CO.[H]O[H]>>CCCCC/C=C/C=C1/C(=O)C=C[C@@H]1C/C=C\CCCC(=O)[O-].OCC(O)CO.[H+]
299 47072 47073; 47074 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCCCCCCCCCCCCCC(=O)OCC(O)CO.[H]O[H]>>CCCCCCCCCCCCCCCCCCCC(=O)[O-].OCC(O)CO.[H+]
300 47384 47385; 47386 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CC(=O)OC1=CC=C(O)C=C1.[H]O[H]>>OC1=CC=C(O)C=C1.CC(=O)[O-].[H+]
301 47868 47869; 47870 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue [1*]OCC(COC(=O)CCCCCCC/C=C\CCCCCCCC)O[2*].[H]O[H]>>*OCC(CO)O*.CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[H+]
302 47880 47881; 47882 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue [1*]OCC(COC(=O)CCCCCCC)O[2*].[H]O[H]>>*OCC(CO)O*.CCCCCCCC(=O)[O-].[H+]
303 48296 48297; 48298 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)OCC(O)CO.[H]O[H]>>CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)[O-].OCC(O)CO.[H+]
304 48300 48301; 48302 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)OCC(O)CO)[C@@H](O)C[C@H]1O.[H]O[H]>>CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)[O-])[C@@H](O)C[C@H]1O.OCC(O)CO.[H+]
305 48428 48429; 48430 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC(O)CO.[H]O[H]>>CCCCC/C=C\C/C=C\CCCCCCCC(=O)[O-].OCC(O)CO.[H+]
306 48440 48441; 48442 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue [1*]C(=O)OC[C@H](CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)OC([2*])=O.[H]O[H]>>[2*]C(=O)O[C@H](CO)CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O.*C(=O)[O-].[H+]
307 48444 48445; 48446 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue *C(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(*)=O.[H]O[H]>>[1*]C(=O)O[C@H](CO)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O.*C(=O)[O-].[H+]
308 48456 48457; 48458 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC.[H]O[H]>>CCCCCCCC(=O)O[C@H](CO)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O.CCCCCCCC(=O)[O-].[H+]
309 48460 48461; 48462 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC.[H]O[H]>>CCCCCCCC(=O)O[C@H](CO)CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O.CCCCCCCC(=O)[O-].[H+]
310 48552 48553; 48554 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CC/C=C\C/C=C\C/C=C\CCCCCC(=O)O[C@H](COC(=O)CCCCCCC[C@H]1C=CC(=O)[C@H]1C/C=C\CC)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O.[H]O[H]>>CC/C=C\C/C=C\C/C=C\CCCCCC(=O)O[C@H](CO)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O.CC/C=C\C[C@@H]1C(=O)C=C[C@@H]1CCCCCCCC(=O)[O-].[H+]
311 49264 49265; 49266 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue O=C(/C=C/C1=CC=C(O)C(O)=C1)O[C@@H]1CC(C(=O)[O-])=C[C@@H](O)[C@H]1O.[H]O[H]>>O=C([O-])C1=C[C@@H](O)[C@@H](O)[C@H](O)C1.O=C([O-])/C=C/C1=CC(O)=C(O)C=C1.[H+]
312 50132 50133; 50134 LR; RL 4.2.1.3 4.2.1 2 1 7 7 unclassified_unique_ec4 MCSA_552_1_0 552 4.2.1.3 7 add:C~O:-,del:C~O:- His101; Ser642 His101; Ser642 Arg447; Arg644; Asp100; Asp165; His101; Ser642 isocitrate(3-) -> citrate(3-) CCCCCCCCCCCCCCCC(=O)OCC.[H]O[H]>>CCO.CCCCCCCCCCCCCCCC(=O)[O-].[H+]
313 50136 50137; 50138 LR; RL 4.2.1.3 4.2.1 2 1 7 7 unclassified_unique_ec4 MCSA_552_1_0 552 4.2.1.3 7 add:C~O:-,del:C~O:- His101; Ser642 His101; Ser642 Arg447; Arg644; Asp100; Asp165; His101; Ser642 isocitrate(3-) -> citrate(3-) CCCCCCCC/C=C\CCCCCCCC(=O)OCC.[H]O[H]>>CCO.CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[H+]
314 50144 50145; 50146 LR; RL 4.2.1.3 4.2.1 2 1 7 7 unclassified_unique_ec4 MCSA_552_1_0 552 4.2.1.3 7 add:C~O:-,del:C~O:- His101; Ser642 His101; Ser642 Arg447; Arg644; Asp100; Asp165; His101; Ser642 isocitrate(3-) -> citrate(3-) CCCCCC/C=C\CCCCCCCC(=O)OCC.[H]O[H]>>CCCCCC/C=C\CCCCCCCC(=O)[O-].CCO.[H+]
315 50148 50149; 50150 LR; RL 4.2.1.3 4.2.1 2 1 7 7 unclassified_unique_ec4 MCSA_552_1_0 552 4.2.1.3 7 add:C~O:-,del:C~O:- His101; Ser642 His101; Ser642 Arg447; Arg644; Asp100; Asp165; His101; Ser642 isocitrate(3-) -> citrate(3-) *C(=O)OCC.[H]O[H]>>CCO.*C(=O)[O-].[H+]
316 50316 50317; 50318 LR; RL 4.2.1.3 4.2.1 2 1 7 7 unclassified_unique_ec4 MCSA_552_1_0 552 4.2.1.3 7 add:C~O:-,del:C~O:- His101; Ser642 His101; Ser642 Arg447; Arg644; Asp100; Asp165; His101; Ser642 isocitrate(3-) -> citrate(3-) CCCCCCCCCCCCCCCCCC(=O)OCC.[H]O[H]>>CCO.CCCCCCCCCCCCCCCCCC(=O)[O-].[H+]
317 52048 52049; 52050 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCC/C=C\CCCCCCCC(=O)OC(CCCCCCCCC)CCCCCCCC(=O)[O-].[H]O[H]>>CCCCCCCCCC(O)CCCCCCCC(=O)[O-].CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[H+]
318 52052 52053; 52054 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCCCCCCCCCC(=O)OC(CCCCCCCCC)CCCCCCCC(=O)[O-].[H]O[H]>>CCCCCCCCCC(O)CCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC(=O)[O-].[H+]
319 52056 52057; 52058 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCCCCCCCCCC(=O)OC(CCCCCC)CCCCCCCCCCC(=O)[O-].[H]O[H]>>CCCCCCC(O)CCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC(=O)[O-].[H+]
320 52060 52061; 52062 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCC/C=C\CCCCCCCC(=O)OC(CCCCCC)CCCCCCCCCCC(=O)[O-].[H]O[H]>>CCCCCCC(O)CCCCCCCCCCC(=O)[O-].CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[H+]
321 52064 52065; 52066 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCC/C=C\CCCCCCCC(=O)OC(CCCCC)CCCCCCCCCCCC(=O)[O-].[H]O[H]>>CCCCCC(O)CCCCCCCCCCCC(=O)[O-].CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[H+]
322 52068 52069; 52070 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCC/C=C\CCCCCCCC(=O)OC(CCCCCCCCC)CCCCCCCC(=O)[O-].[H]O[H]>>CCCCCC/C=C\CCCCCCCC(=O)[O-].CCCCCCCCCC(O)CCCCCCCC(=O)[O-].[H+]
323 52072 52073; 52074 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCC/C=C\CCCCCCCC(=O)OC(CCCCCC)CCCCCCCCCCC(=O)[O-].[H]O[H]>>CCCCCCC(O)CCCCCCCCCCC(=O)[O-].CCCCCC/C=C\CCCCCCCC(=O)[O-].[H+]
324 52076 52077; 52078 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCC/C=C\CCCCCCCC(=O)OC(CCCCC)CCCCCCCCCCCC(=O)[O-].[H]O[H]>>CCCCCC(O)CCCCCCCCCCCC(=O)[O-].CCCCCC/C=C\CCCCCCCC(=O)[O-].[H+]
325 52080 52081; 52082 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCCCCCCCCCCCC(=O)OC(CCCCCC)CCCCCCCCCCC(=O)[O-].[H]O[H]>>CCCCCCC(O)CCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[H+]
326 52084 52085; 52086 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCCCCCCCCCCCC(=O)OC(CCCCC)CCCCCCCCCCCC(=O)[O-].[H]O[H]>>CCCCCC(O)CCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[H+]
327 52092 52093; 52094 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCC/C=C\CCCCCCCC(=O)OC(CCCCCCCCCCCCC)CCCC(=O)[O-].[H]O[H]>>CCCCCCCCCCCCCC(O)CCCC(=O)[O-].CCCCCC/C=C\CCCCCCCC(=O)[O-].[H+]
328 52096 52097; 52098 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCCCCCCCCCCCC(=O)OC(CCCCCCCCC)CCCCCCCC(=O)[O-].[H]O[H]>>CCCCCCCCCC(O)CCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[H+]
329 52100 52101; 52102 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCC/C=C\CCCCCCCC(=O)OC(CCCCCCCCCCCCC)CCCC(=O)[O-].[H]O[H]>>CCCCCCCCCCCCCC(O)CCCC(=O)[O-].CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[H+]
330 55372 55373; 55374 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CC/C=C\C[C@H]1C(=O)CC[C@@H]1CC(=O)OC.[H]O[H]>>CC/C=C\C[C@H]1C(=O)CC[C@@H]1CC(=O)[O-].CO.[H+]
331 58020 58021; 58022 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue C=C(C(=O)[O-])[C@H]1[C@H](O)/C=C(\C)CC/C=C(\C)C[C@H]1O.[H+]>>[H][C@@]12/C=C(\C)CC/C=C(\C)C[C@@H](O)[C@@]1([H])C(=C)C(=O)O2.[H]O[H]
332 58040 58041; 58042 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OCC(O)CO.[H]O[H]>>CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)[O-].OCC(O)CO.[H+]
333 58076 58077; 58078 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCC/C=C\CCCCCCCCCC(=O)OCC(O)CO.[H]O[H]>>CCCCCCCC/C=C\CCCCCCCCCC(=O)[O-].OCC(O)CO.[H+]
334 58080 58081; 58082 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)CO.[H]O[H]>>CCCCCCCCCCCCCCCCCCCCCC(=O)[O-].OCC(O)CO.[H+]
335 58084 58085; 58086 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCC/C=C\CCCCCCCCCCCC(=O)OCC(O)CO.[H]O[H]>>CCCCCCCC/C=C\CCCCCCCCCCCC(=O)[O-].OCC(O)CO.[H+]
336 58088 58089; 58090 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OCC(O)CO.[H]O[H]>>CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)[O-].OCC(O)CO.[H+]
337 58092 58093; 58094 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OCC(O)CO.[H]O[H]>>CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)[O-].OCC(O)CO.[H+]
338 58096 58097; 58098 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)CO.[H]O[H]>>CCCCCCCCCCCCCCCCCCCCCCCC(=O)[O-].OCC(O)CO.[H+]
339 58100 58101; 58102 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)OCC(O)CO.[H]O[H]>>CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)[O-].OCC(O)CO.[H+]
340 59308 59309; 59310 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue O=C1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O.[H]O[H]>>O=C([O-])[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO.[H+]
341 59320 59321; 59322 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue O=C1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O.[H]O[H]>>O=C([O-])[C@H](O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)CO.[H+]
342 59348 59349; 59350 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue O=C1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O.[H]O[H]>>O=C([O-])[C@H](O)[C@@H](O)[C@H](O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)CO.[H+]
343 59356 59357; 59358 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue O=C1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O.[H]O[H]>>O=C([O-])[C@H](O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)CO.[H+]
344 59644 59645; 59646 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue O=C1OC[C@@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O.[H]O[H]>>O=C([O-])[C@H](O)[C@@H](O)[C@@H](CO)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O.[H+]
345 59648 59649; 59650 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue O=C1OC[C@@H](O[C@@H]2OC[C@@H](O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O.[H]O[H]>>O=C([O-])[C@H](O)[C@@H](O)[C@@H](CO)O[C@@H]1OC[C@@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O.[H+]
346 59652 59653; 59654 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue O=C1OC[C@@H](O[C@@H]2OC[C@@H](O[C@@H]3OC[C@@H](O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O.[H]O[H]>>O=C([O-])[C@H](O)[C@@H](O)[C@@H](CO)O[C@@H]1OC[C@@H](O[C@@H]2OC[C@@H](O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O.[H+]
347 59692 59693; 59694 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue O=C1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O.[H]O[H]>>O=C([O-])[C@H](O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CO.[H+]
348 59696 59697; 59698 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue O=C1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O.[H]O[H]>>O=C([O-])[C@H](O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CO.[H+]
349 59700 59701; 59702 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue O=C1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O.[H]O[H]>>O=C([O-])[C@H](O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CO.[H+]
350 59704 59705; 59706 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue O=C1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O.[H]O[H]>>O=C([O-])[C@H](O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CO.[H+]
351 59708 59709; 59710 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue O=C1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O.[H]O[H]>>O=C([O-])[C@H](O)[C@@H](O)[C@H](O[C@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CO.[H+]
352 59712 59713; 59714 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue O=C1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O.[H]O[H]>>O=C([O-])[C@H](O)[C@@H](O)[C@H](O[C@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CO.[H+]
353 59716 59717; 59718 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue O=C1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O.[H]O[H]>>O=C([O-])[C@H](O)[C@@H](O)[C@H](O[C@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CO.[H+]
354 59720 59721; 59722 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue O=C1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O[C@H]5O[C@H](CO)[C@@H](O[C@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O.[H]O[H]>>O=C([O-])[C@H](O)[C@@H](O)[C@H](O[C@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CO.[H+]
355 59724 59725; 59726 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue O=C1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O[C@H]5O[C@H](CO)[C@@H](O[C@H]6O[C@H](CO)[C@@H](O[C@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O.[H]O[H]>>O=C([O-])[C@H](O)[C@@H](O)[C@H](O[C@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O[C@H]5O[C@H](CO)[C@@H](O[C@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CO.[H+]
356 62744 62745; 62746 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue [H][C@@]12C(=CCC[C@@H]1OC(=O)[C@@H](C)CC)/C=C\[C@H](C)[C@@H]2CC[C@@H]1C[C@@H](O)CC(=O)O1.[H]O[H]>>[H][C@@]12C(=CCC[C@@H]1O)C=C[C@H](C)[C@@H]2CC[C@@H]1C[C@@H](O)CC(=O)O1.CC[C@H](C)C(=O)[O-].[H+]
357 62748 62749; 62750 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue [H][C@@]12C(=C[C@H](C)C[C@@H]1OC(=O)[C@@H](C)CC)/C=C\[C@H](C)[C@@H]2CC[C@@H]1C[C@@H](O)CC(=O)O1.[H]O[H]>>[H][C@@]12C(=C[C@H](C)C[C@@H]1O)/C=C\[C@H](C)[C@@H]2CC[C@@H]1C[C@@H](O)CC(=O)O1.CC[C@H](C)C(=O)[O-].[H+]
358 62752 62753; 62754 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue [H][C@@]12C(=C[C@@H](O)C[C@@H]1OC(=O)[C@@H](C)CC)/C=C\[C@H](C)[C@@H]2CC[C@@H]1C[C@@H](O)CC(=O)O1.[H]O[H]>>[H][C@@]12C(=C[C@@H](O)C[C@@H]1O)/C=C\[C@H](C)[C@@H]2CC[C@@H]1C[C@@H](O)CC(=O)O1.CC[C@H](C)C(=O)[O-].[H+]
359 63040 63041; 63042 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue [H][C@@]12C(=C[C@H](C)C[C@@H]1OC(=O)[C@@H](C)CC)/C=C\[C@H](C)[C@@H]2CC[C@@H]1C[C@@H](O)CC(=O)O1.[H]O[H]>>[H][C@@]12C(=C[C@H](C)C[C@@H]1OC(=O)[C@@H](C)CC)/C=C\[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[H+]
360 63044 63045; 63046 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue [H][C@@]12C(=CCC[C@@H]1OC(=O)[C@@H](C)CC)/C=C\[C@H](C)[C@@H]2CC[C@@H]1C[C@@H](O)CC(=O)O1.[H]O[H]>>[H][C@@]12C(=CCC[C@@H]1OC(=O)[C@@H](C)CC)/C=C\[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[H+]
361 63048 63049; 63050 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue [H][C@@]12C(=C[C@@H](O)C[C@@H]1OC(=O)[C@@H](C)CC)/C=C\[C@H](C)[C@@H]2CC[C@@H]1C[C@@H](O)CC(=O)O1.[H]O[H]>>[H][C@@]12C(=C[C@@H](O)C[C@@H]1OC(=O)[C@@H](C)CC)/C=C\[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[H+]
362 63432 63433; 63434 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OCC(COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC.[H]O[H]>>CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OCC(CO)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC.CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)[O-].[H+]
363 63436 63437; 63438 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OCC(COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC.[H]O[H]>>CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OCC(CO)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC.CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)[O-].[H+]
364 66672 66673; 66674 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CC1=C(O)C=C(O)C(C(=O)[O-])=C1CO.[H+]>>C/C1=C(O)/C=C(/O)C2=C1COC2=O.[H]O[H]
365 67272 67273; 67274 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue [1*]C(=O)OC[C@H](COP(=O)([O-])OCC(O)COP(=O)([O-])OC[C@@H](COC([3*])=O)OC([2*])=O)OC(=O)CCCCCCCC(O)/C=C/C=C\CCCCC.[H]O[H]>>CCCCC/C=C\C=C\C(O)CCCCCCCC(=O)[O-].[1*]C(=O)OC[C@H](COP(=O)([O-])OCC(O)COP(=O)([O-])OC[C@H](O)COC([3*])=O)OC([2*])=O.[H+]
366 67788 67789; 67790 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue [1*]C(=O)OC[C@H](COP(=O)([O-])OCC(O)COP(=O)([O-])OC[C@H](O)COC([3*])=O)OC([2*])=O.[1*]C(=O)OC[C@H](COP(=O)([O-])OCC(O)COP(=O)([O-])OC[C@H](O)COC([3*])=O)OC([2*])=O>>*C(=O)OC[C@@H](O)COP(=O)([O-])OCC(O)COP(=O)([O-])OC[C@H](O)COC(*)=O.[1*]C(=O)OC[C@H](COP(=O)([O-])OCC(O)COP(=O)([O-])OC[C@@H](COC([3*])=O)OC([4*])=O)OC([2*])=O
367 70299 70300; 70301 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue O=C1O[C-]([C@@H](O)CO)C(=O)C1=O.[H]O[H]>>O=C([O-])C(=O)C(=O)[C@H](O)[C@@H](O)CO
368 70335 70336; 70337 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue O=C([O-])C1(O)C(=O)O[C@@H](CO)[C@H]1O.[H]O[H]>>O=C([O-])C(O)(C(=O)[O-])[C@H](O)[C@@H](O)CO.[H+]
369 73967 73968; 73969 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O.[H]O[H]>>CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](CO)COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O.CCCCCCCCCCCCCCCCCC(=O)[O-].[H+]
370 75027 75028; 75029 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCC/C=C\CCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C\CCCCCC)OC(=O)CCCCCCC/C=C\CCCCCC.CCCCCCCCCC(O)CCCCCCCC(=O)[O-]>>CCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](CO)OC(=O)CCCCCCC/C=C\CCCCCC.CCCCCC/C=C\CCCCCCCC(=O)OC(CCCCCCCCC)CCCCCCCC(=O)[O-]
371 75031 75032; 75033 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCCCC(O)CCCCCCCC(=O)[O-].CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\CCCCCCCC>>CCCCCCCC/C=C\CCCCCCCC(=O)OC(CCCCCCCCC)CCCCCCCC(=O)[O-].CCCCCCCC/C=C\CCCCCCCC(=O)OC(CO)CO
372 75235 75236; 75237 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue C[C@@H]1OC(=O)[C@@H](O)[C@H](O)[C@@H]1O>>[H][C@]1([C@H](C)O)OC(=O)[C@@H](O)[C@@H]1O
373 76971 76972; 76973 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O.[H]O[H]>>CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)O[C@H](CO)COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O.CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[H+]
374 76975 76976; 76977 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O.[H]O[H]>>CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](CO)COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O.CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[H+]
375 76983 76984; 76985 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O.[H]O[H]>>CCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)O[C@H](CO)COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O.CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[H+]
376 77103 77104; 77105 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCC/C=C\CCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCCCCCC.[H]O[H]>>CCCCCCCC/C=C\CCCCCCCC(=O)OC(CO)CO.CCCCCCCCCCCCCCCCCC(=O)[O-].[H+]
377 77107 77108; 77109 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCCCCCC.[H]O[H]>>CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC(CO)CO.CCCCCCCCCCCCCCCCCC(=O)[O-].[H+]
378 77599 77600; 77601 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OC[C@@H](O)CO.CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OC[C@@H](O)CO>>CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OC[C@@H](O)COC(=O)CCCCCCC/C=C\CCCCCCCC.O=P([O-])(OC[C@H](O)CO)OC[C@@H](O)CO
379 77603 77604; 77605 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OC[C@@H](O)CO.CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OC[C@@H](O)CO>>CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OC[C@@H](O)COC(=O)CCCCCCCCCCCCCCCCC.O=P([O-])(OC[C@H](O)CO)OC[C@@H](O)CO
380 77607 77608; 77609 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OC[C@@H](O)CO.CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OC[C@@H](O)CO>>CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OC[C@@H](O)COC(=O)CCCCCCCCCCCCCCC.O=P([O-])(OC[C@H](O)CO)OC[C@@H](O)CO
381 77611 77612; 77613 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OC[C@@H](O)CO.CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OC[C@@H](O)CO>>CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OC[C@@H](O)COC(=O)CCCCCCCCCCCCC.O=P([O-])(OC[C@H](O)CO)OC[C@@H](O)CO
382 77619 77620; 77621 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue *C(=O)OC[C@@H](O)COP(=O)([O-])OC[C@@H](O)CO.*C(=O)OC[C@@H](O)COP(=O)([O-])OC[C@@H](O)CO>>[1*]C(=O)OC[C@H](O)COP(=O)([O-])OC[C@H](O)COC([2*])=O.O=P([O-])(OC[C@H](O)CO)OC[C@@H](O)CO
383 77943 77944; 77945 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCC/C=C\CCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C\CCCCCC)OC(=O)CCCCCCC/C=C\CCCCCC.CCCCCCCCCC(O)CCCCCCCC(=O)[O-]>>CCCCCC/C=C\CCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC/C=C\CCCCCC.CCCCCC/C=C\CCCCCCCC(=O)OC(CCCCCCCCC)CCCCCCCC(=O)[O-]
384 77959 77960; 77961 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue [1*]C(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC([2*])=O.[1*]C(=O)OCC(CO)OC([2*])=O>>*C(=O)O[C@H](CO)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O.[1*]C(=O)OCC(COC([3*])=O)OC([2*])=O
385 77983 77984; 77985 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCCCC(O)CCCCCCCC(=O)[O-].[1*]C(=O)OCC(COC([3*])=O)OC([2*])=O>>*C(=O)OC(CCCCCCCCC)CCCCCCCC(=O)[O-].[1*]C(=O)OC[C@@H](CO)OC([2*])=O
386 77987 77988; 77989 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCCCC(O)CCCCCCCC(=O)[O-].[1*]C(=O)OCC(COC([3*])=O)OC([2*])=O>>*C(=O)OC(CCCCCCCCC)CCCCCCCC(=O)[O-].[1*]C(=O)OCC(O)COC([2*])=O
387 77995 77996; 77997 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCCCC(O)CCCCCCCC(=O)[O-].[1*]C(=O)OC[C@H](CO)OC([2*])=O>>*C(=O)OC(CCCCCCCCC)CCCCCCCC(=O)[O-].[1*]C(=O)OC(CO)CO
388 77999 78000; 78001 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue [1*]C(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC([2*])=O.[1*]C(=O)OCC(CO)OC([2*])=O>>[1*]C(=O)OC[C@@H](O)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O.[1*]C(=O)OCC(COC([3*])=O)OC([2*])=O
389 78015 78016; 78017 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue [1*]C(=O)OCC(CO)OC([2*])=O.[H]O[H]>>[1*]C(=O)OC(CO)CO.*C(=O)[O-].[H+]
390 78019 78020; 78021 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue [1*]C(=O)OCC(O)COC([2*])=O.[H]O[H]>>*C(=O)OCC(O)CO.*C(=O)[O-].[H+]
391 78063 78064; 78065 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue [1*]C(=O)OCC(COC([3*])=O)OC([2*])=O.CC1=C(/C=C/C(C)=C/C=C/C(C)=C/CO)C(C)(C)CCC1>>*C(=O)OC/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C.[1*]C(=O)OCC(CO)OC([2*])=O
392 78067 78068; 78069 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue [1*]C(=O)OCC(COC([3*])=O)OC([2*])=O.CC1=C(/C=C/C(C)=C/C=C/C(C)=C/CO)C(C)(C)CCC1>>*C(=O)OC/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C.[1*]C(=O)OCC(O)COC([2*])=O
393 78075 78076; 78077 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue [1*]C(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC([2*])=O.[H]O[H]>>*C(=O)O[C@H](CO)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O.*C(=O)[O-].[H+]
394 78079 78080; 78081 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue [1*]C(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC([2*])=O.[H]O[H]>>[1*]C(=O)OC[C@@H](O)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O.*C(=O)[O-].[H+]
395 78083 78084; 78085 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue [1*]C(=O)OC[C@H](CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)OC([2*])=O.[H]O[H]>>[2*]C(=O)OC[C@@H](O)CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O.*C(=O)[O-].[H+]
396 78087 78088; 78089 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue [1*]C(=O)OC[C@H](CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)OC([2*])=O.[H]O[H]>>[2*]C(=O)O[C@H](CO)CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O.*C(=O)[O-].[H+]
397 78099 78100; 78101 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue [1*]C(=O)OC[C@@H](O)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O.[H]O[H]>>OC[C@@H](O)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O.*C(=O)[O-].[H+]
398 78147 78148; 78149 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue [1*]C(=O)OCC(O)COC([2*])=O.[H]O[H]>>*C(=O)OC[C@@H](O)CO.*C(=O)[O-].[H+]
399 78151 78152; 78153 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue *C(=O)OC[C@H](O)CO.[H]O[H]>>OCC(O)CO.*C(=O)[O-].[H+]
400 78195 78196; 78197 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue *C1CCC2C3CCC4C[C@@H](O)CCC4(C)C3CCC12C.[1*]C(=O)OCC(COC([3*])=O)OC([2*])=O>>*C(=O)O[C@H]1CCC2(C)C(CCC3C4CCC(*)C4(C)CCC32)C1.[1*]C(=O)OCC(CO)OC([2*])=O
401 78199 78200; 78201 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue *C1CCC2C3CCC4C[C@@H](O)CCC4(C)C3CCC12C.[1*]C(=O)OCC(COC([3*])=O)OC([2*])=O>>*C(=O)O[C@H]1CCC2(C)C(CCC3C4CCC(*)C4(C)CCC32)C1.[1*]C(=O)OCC(O)COC([2*])=O
402 79255 79256; 79257 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue C[C@H]1CCCC(=O)CCC/C=C/C2=CC(O)=CC(O)=C2C(=O)O1.[H]O[H]>>C[C@H](O)CCCC(=O)CCC/C=C/C1=C(C(=O)[O-])C(O)=CC(O)=C1.[H+]
403 81067 81068; 81069 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue [H][C@@]12[C@H](O)CC3=C(COC3=O)[C@@]1(CO)CCC[C@]2(C)CO.O=C([O-])C1=CC=CC=C1.[H+]>>[H][C@@]12[C@H](OC(=O)C3=CC=CC=C3)CC3=C(COC3=O)[C@@]1(CO)CCC[C@]2(C)CO.[H]O[H]
404 81071 81072; 81073 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue [H][C@@]12[C@H](O)CC3=C(COC3=O)[C@@]1(CO)CCC[C@]2(C)CO.O=C([O-])C1=CC=C(O)C=C1.[H+]>>[H][C@@]12[C@H](OC(=O)C3=CC=C(O)C=C3)CC3=C(COC3=O)[C@@]1(CO)CCC[C@]2(C)CO.[H]O[H]
405 82611 82612; 82613 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CC1=C(O)C(C)=C(CO)C(C(=O)[O-])=C1O.[H+]>>CC1=C(O)C(C)=C2COC(=O)C2=C1O.[H]O[H]
406 86079 86080; 86081 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CC(=O)OC[C@H]1O[C@@H](O[C@H]2[C@H](OC(C)CCCCCC/C=C\CCCCCCCC(=O)O[C@H]3O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]3O)O[C@H](COC(C)=O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O>>CC(=O)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](COC(C)=O)O[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O.CC(=O)OC[C@H]1O[C@H]2OC(C)CCCCCC/C=C\CCCCCCCC(=O)O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@@H]2[C@@H](O)[C@@H]1O)O[C@@H]3COC(C)=O
407 86083 86084; 86085 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CC(CCCCCC/C=C\CCCCCCCC(=O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O>>CC1CCCCCC/C=C\CCCCCCCC(=O)O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@H]3[C@H](O1)O[C@H](CO)[C@@H](O)[C@@H]3O)O[C@@H]2CO.OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
408 86127 86128; 86129 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CC(=O)OC[C@H]1O[C@@H](O[C@H]2[C@H](OC(C)CCCCCC/C=C\CCCCCCCC(=O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)O[C@H](COC(C)=O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O>>CC(=O)OC[C@H]1O[C@H]2OC(C)CCCCCC/C=C\CCCCCCCC(=O)O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@@H]2[C@@H](O)[C@@H]1O)O[C@@H]3COC(C)=O.OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
409 67636 67637; 67638 LR; RL 4.3.1.2 4.3.1 2 2 7 7 unclassified_unique_ec4 MCSA_468_2_0; MCSA_468_2_1 468 4.3.1.2 7 chg:C~C:->=,del:C~N:- Asp238; Asp307; Glu273; Lys331 Asp238; Asp307; Glu273; Lys331 Asp238; Asp307; Gln172; Gln329; Glu273; His194; Lys331 threo-3-methyl-L-aspartate(1-) -> mesaconate(2-) + ammonium NC1=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](COP(=O)([O-])[O-])O2)C(N[C@@H](CC(=O)[O-])C(=O)[O-])=N1>>NC1=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](COP(=O)([O-])[O-])O2)C(N)=N1.O=C([O-])/C=C/C(=O)[O-]
410 69140 69141; 69142 LR; RL 4.3.1.2 4.3.1 2 2 7 7 unclassified_unique_ec4 MCSA_468_2_0; MCSA_468_2_1 468 4.3.1.2 7 chg:C~C:->=,del:C~N:- Asp238; Asp307; Glu273; Lys331 Asp238; Asp307; Glu273; Lys331 Asp238; Asp307; Gln172; Gln329; Glu273; His194; Lys331 threo-3-methyl-L-aspartate(1-) -> mesaconate(2-) + ammonium [NH3+]CCCC[NH2+]CCC=O>>[H]C(=C)C([H])=O.[NH3+]CCCC[NH3+]
411 69152 69153; 69154 LR; RL 4.3.1.2 4.3.1 2 2 7 7 unclassified_unique_ec4 MCSA_468_2_0; MCSA_468_2_1 468 4.3.1.2 7 chg:C~C:->=,del:C~N:- Asp238; Asp307; Glu273; Lys331 Asp238; Asp307; Glu273; Lys331 Asp238; Asp307; Gln172; Gln329; Glu273; His194; Lys331 threo-3-methyl-L-aspartate(1-) -> mesaconate(2-) + ammonium [NH3+]CCC[NH2+]CCCC[NH2+]CCC=O>>[H]C(=C)C([H])=O.[NH3+]CCCC[NH2+]CCC[NH3+]
412 69156 69157; 69158 LR; RL 4.3.1.2 4.3.1 2 2 7 7 unclassified_unique_ec4 MCSA_468_2_0; MCSA_468_2_1 468 4.3.1.2 7 chg:C~C:->=,del:C~N:- Asp238; Asp307; Glu273; Lys331 Asp238; Asp307; Glu273; Lys331 Asp238; Asp307; Gln172; Gln329; Glu273; His194; Lys331 threo-3-methyl-L-aspartate(1-) -> mesaconate(2-) + ammonium O=CCC[NH2+]CCCC[NH2+]CCC=O>>[NH3+]CCCC[NH2+]CCC=O.[H]C(=C)C([H])=O
413 74595 74596; 74597 LR; RL 4.3.1.2 4.3.1 2 2 7 7 unclassified_unique_ec4 MCSA_468_2_0; MCSA_468_2_1 468 4.3.1.2 7 chg:C~C:->=,del:C~N:- Asp238; Asp307; Glu273; Lys331 Asp238; Asp307; Glu273; Lys331 Asp238; Asp307; Gln172; Gln329; Glu273; His194; Lys331 threo-3-methyl-L-aspartate(1-) -> mesaconate(2-) + ammonium C[C@@H](C(=O)[O-])[C@H]([NH3+])C(=O)[O-]>>C/C(=C\C(=O)[O-])C(=O)[O-].[H][N+]([H])([H])[H]
414 75359 75360; 75361 LR; RL 4.3.1.2 4.3.1 2 2 7 7 unclassified_unique_ec4 MCSA_468_2_0; MCSA_468_2_1 468 4.3.1.2 7 chg:C~C:->=,del:C~N:- Asp238; Asp307; Glu273; Lys331 Asp238; Asp307; Glu273; Lys331 Asp238; Asp307; Gln172; Gln329; Glu273; His194; Lys331 threo-3-methyl-L-aspartate(1-) -> mesaconate(2-) + ammonium [NH3+][C@@H](CN1C=CC(=O)C(O)=C1)C(=O)[O-]>>O=C1C=CNC=C1O.C=C([NH3+])C(=O)[O-]
415 81175 81176; 81177 LR; RL 4.3.1.2 4.3.1 2 2 7 7 unclassified_unique_ec4 MCSA_468_2_0; MCSA_468_2_1 468 4.3.1.2 7 chg:C~C:->=,del:C~N:- Asp238; Asp307; Glu273; Lys331 Asp238; Asp307; Glu273; Lys331 Asp238; Asp307; Gln172; Gln329; Glu273; His194; Lys331 threo-3-methyl-L-aspartate(1-) -> mesaconate(2-) + ammonium C[C@@H]([NH2+]C(CC(=O)[O-])C(=O)[O-])[C@H](N)C(=O)[O-]>>C[C@@H]([NH3+])[C@H](N)C(=O)[O-].O=C([O-])/C=C/C(=O)[O-]
416 32919 32920; 32921 LR; RL 3.1.1.96 3.1.1 4 2 7 7 unclassified_unique_ec4 MCSA_748_1_0; MCSA_748_1_3 748 3.1.1.96 7 add:C~O:-,del:C~O:- Thr80 Thr80 Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue COC(=O)CC1=CNC2=C1C=CC=C2.[H]O[H]>>O=C([O-])CC1=CN/C2=C\C=C/C=C\12.CO.[H+]
417 78415 78416; 78417 LR; RL 3.1.1.96 3.1.1 4 2 7 7 unclassified_unique_ec4 MCSA_748_1_0; MCSA_748_1_3 748 3.1.1.96 7 add:C~O:-,del:C~O:- Thr80 Thr80 Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue COC(=O)NC1=NC2=C(C=CC=C2)N1.[H]O[H]>>O=C([O-])NC1=NC2=CC=CC=C2N1.CO.[H+]
418 85503 85504; 85505 LR; RL 3.1.1.96 3.1.1 4 2 7 7 unclassified_unique_ec4 MCSA_748_1_0; MCSA_748_1_3 748 3.1.1.96 7 add:C~O:-,del:C~O:- Thr80 Thr80 Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue COC(=O)C1=CC=CN=C1.[H]O[H]>>O=C([O-])C1=CC=CN=C1.CO.[H+]
419 85883 85884; 85885 LR; RL 3.1.1.96 3.1.1 4 2 7 7 unclassified_unique_ec4 MCSA_748_1_0; MCSA_748_1_3 748 3.1.1.96 7 add:C~O:-,del:C~O:- Thr80 Thr80 Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue [H][C@@]12C[C@H](CC)[C@]3([H])[N@@H+](CCC4=C(NC5=C4C=CC=C5)[C@]3(C(=O)OC)C1)C2.[H]O[H]>>[H][C@@]12C[C@H](CC)[C@]3([H])[N@@H+](CCC4=C(NC5=C4C=CC=C5)[C@]3(C(=O)[O-])C1)C2.CO.[H+]
420 36387 36388; 36389 LR; RL 3.1.1.96 3.1.1 3 3 7 7 unclassified_unique_ec4 MCSA_748_1_0; MCSA_748_1_3; MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Thr80 Thr80 Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue NC(=O)OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1O.[NH3+]C[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H]([NH3+])[C@H]3O)[C@H]([NH3+])C[C@@H]2[NH3+])[C@H](O)[C@@H](O)[C@@H]1O>>NC(=O)OC[C@H]1O[C@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3O[C@H](C[NH3+])[C@@H](O)[C@H](O)[C@H]3O)[C@@H]([NH3+])C[C@H]2[NH3+])[C@H](O)[C@@H]([NH3+])[C@@H]1O.NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O.[H+]
421 24776 24777; 24778 LR; RL 3.1.1.96 3.1.1 6 3 7 7 unclassified_unique_ec4 MCSA_748_1_0; MCSA_748_1_3; MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Thr80 Thr80 Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue C=CC1=C(C)/C2=C/C3=N/C(=C4\C5=C(C(=O)[C-]4C(=O)OC)/C(C)=C(/C=C4\N=C(/C=C/1N2)C(C)=C4CC)N5)[C@@H](CCC(=O)[O-])[C@@H]3C.[H]O[H]>>C=CC1=C(C)/C2=C/C3=N/C(=C4\C5=C(C(=O)[C@@H]4C(=O)[O-])/C(C)=C(/C=C4\N=C(/C=C/1N2)C(C)=C4CC)N5)[C@@H](CCC(=O)[O-])[C@@H]3C.CO
422 32851 32852; 32853 LR; RL 3.1.1.96 3.1.1 6 3 7 7 unclassified_unique_ec4 MCSA_748_1_0; MCSA_748_1_3; MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Thr80 Thr80 Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue [1*]C(=O)OC(CO)CO.[1*]C(=O)OC[C@]([H])(COP(=O)([O-])OCC[N+](C)(C)C)OC([2*])=O>>[1*]C(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C.[1*]C(=O)OC[C@H](CO)OC([2*])=O
423 32855 32856; 32857 LR; RL 3.1.1.96 3.1.1 6 3 7 7 unclassified_unique_ec4 MCSA_748_1_0; MCSA_748_1_3; MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Thr80 Thr80 Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue [1*]C(=O)OC(CO)CO.[1*]C(=O)OC[C@H](COP(=O)([O-])OCC[NH3+])OC([2*])=O>>[1*]C(=O)OC[C@@H](O)COP(=O)([O-])OCC[NH3+].[1*]C(=O)OC[C@H](CO)OC([2*])=O
424 33731 33732; 33733 LR; RL 3.1.1.96 3.1.1 6 3 7 7 unclassified_unique_ec4 MCSA_748_1_0; MCSA_748_1_3; MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Thr80 Thr80 Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue [1*]C(=O)OC[C@H](COP(=O)([O-])OCC(O)COP(=O)([O-])OC[C@H](O)COC([3*])=O)OC([2*])=O.[1*]C(=O)OC[C@]([H])(COP(=O)([O-])OCC[N+](C)(C)C)OC([2*])=O>>[1*]C(=O)OC[C@H](COP(=O)([O-])OCC(O)COP(=O)([O-])OC[C@@H](COC([3*])=O)OC([4*])=O)OC([2*])=O.[1*]C(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C
425 35843 35844; 35845 LR; RL 3.1.1.96 3.1.1 6 3 7 7 unclassified_unique_ec4 MCSA_748_1_0; MCSA_748_1_3; MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Thr80 Thr80 Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue [1*]C(=O)OC[C@H](COP(=O)([O-])OCC(O)COP(=O)([O-])OC[C@H](O)COC([3*])=O)OC([2*])=O.[1*]C(=O)OC[C@H](COP(=O)([O-])OCC[NH3+])OC([2*])=O>>[1*]C(=O)OC[C@H](COP(=O)([O-])OCC(O)COP(=O)([O-])OC[C@@H](COC([3*])=O)OC([4*])=O)OC([2*])=O.[1*]C(=O)OC[C@@H](O)COP(=O)([O-])OCC[NH3+]
426 36383 36384; 36385 LR; RL 3.1.1.96 3.1.1 6 3 7 7 unclassified_unique_ec4 MCSA_748_1_0; MCSA_748_1_3; MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Thr80 Thr80 Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue [NH3+]C[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H]([NH3+])[C@H]3O)[C@H]([NH3+])C[C@@H]2[NH3+])[C@H]([NH3+])C[C@@H]1O.NC(=O)OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1O>>NC(=O)OC[C@H]1O[C@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3O[C@H](C[NH3+])[C@@H](O)C[C@H]3[NH3+])[C@@H]([NH3+])C[C@H]2[NH3+])[C@H](O)[C@@H]([NH3+])[C@@H]1O.NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O.[H+]
427 40247 40248; 40249 LR; RL 3.1.1.96 3.1.1 6 3 7 7 unclassified_unique_ec4 MCSA_748_1_0; MCSA_748_1_3; MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Thr80 Thr80 Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CC[C@@]1(O)C[C@H](O[C@H]2C[C@H]([NH3+])[C@H](O)[C@H](C)O2)C2=C(C(O)=C3C(=O)C4=CC=CC(O)=C4C(=O)C3=C2O)[C@H]1C(=O)OC.[H]O[H]>>CC[C@@]1(O)C[C@H](O[C@H]2C[C@H]([NH3+])[C@H](O)[C@H](C)O2)C2=C(C(O)=C3C(=O)C4=CC=CC(O)=C4C(=O)C3=C2O)[C@H]1C(=O)[O-].CO.[H+]
428 40251 40252; 40253 LR; RL 3.1.1.96 3.1.1 6 3 7 7 unclassified_unique_ec4 MCSA_748_1_0; MCSA_748_1_3; MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Thr80 Thr80 Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CC[C@@]1(O)C[C@H](O[C@H]2C[C@H]([NH3+])[C@H](O)[C@H](C)O2)C2=C(C(O)=C3C(=O)C4=CC=CC(OC)=C4C(=O)C3=C2O)[C@H]1C(=O)OC.[H]O[H]>>CC[C@@]1(O)C[C@H](O[C@H]2C[C@H]([NH3+])[C@H](O)[C@H](C)O2)C2=C(C(O)=C3C(=O)C4=CC=CC(OC)=C4C(=O)C3=C2O)[C@H]1C(=O)[O-].CO.[H+]
429 40899 40900; 40901 LR; RL 3.1.1.96 3.1.1 6 3 7 7 unclassified_unique_ec4 MCSA_748_1_0; MCSA_748_1_3; MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Thr80 Thr80 Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OCC[NH3+].CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C>>[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(=O)([O-])OCC[NH3+])OC(=O)CCCCCCCCCCCCCCC.C[N+](C)(C)CCOP(=O)([O-])OC[C@H](O)CO
430 41352 41353; 41354 LR; RL 3.1.1.96 3.1.1 6 3 7 7 unclassified_unique_ec4 MCSA_748_1_0; MCSA_748_1_3; MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Thr80 Thr80 Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue *C(=O)OC[C@@H](O)COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O.CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C>>*C(=O)OC[C@H](COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCC.C[N+](C)(C)CCOP(=O)([O-])OC[C@H](O)CO
431 41396 41397; 41398 LR; RL 3.1.1.96 3.1.1 6 3 7 7 unclassified_unique_ec4 MCSA_748_1_0; MCSA_748_1_3; MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Thr80 Thr80 Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCCCCCCCCCCOC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(C)=O.*/C=C\OC[C@@H](O)COP(=O)([O-])OCC[NH3+]>>*/C=C\OC[C@H](COP(=O)([O-])OCC[NH3+])OC(C)=O.CCCCCCCCCCCCCCCCOC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C
432 44652 44653; 44654 LR; RL 3.1.1.96 3.1.1 6 3 7 7 unclassified_unique_ec4 MCSA_748_1_0; MCSA_748_1_3; MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Thr80 Thr80 Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue *C(=O)OC[C@@H](O)COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O.[1*]C(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C>>*C(=O)OC[C@H](COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O)OC(*)=O.C[N+](C)(C)CCOP(=O)([O-])OC[C@H](O)CO
433 49908 49909; 49910 LR; RL 3.1.1.96 3.1.1 6 3 7 7 unclassified_unique_ec4 MCSA_748_1_0; MCSA_748_1_3; MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Thr80 Thr80 Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C.C[N+](C)(C)C[C@H](O)CC(=O)[O-]>>CC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C.C[N+](C)(C)C[C@H](O)CC(=O)[O-]
434 49912 49913; 49914 LR; RL 3.1.1.96 3.1.1 6 3 7 7 unclassified_unique_ec4 MCSA_748_1_0; MCSA_748_1_3; MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Thr80 Thr80 Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C.C[N+](C)(C)C[C@H](O)CC(=O)[O-]>>CCC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C.C[N+](C)(C)C[C@H](O)CC(=O)[O-]
435 49916 49917; 49918 LR; RL 3.1.1.96 3.1.1 6 3 7 7 unclassified_unique_ec4 MCSA_748_1_0; MCSA_748_1_3; MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Thr80 Thr80 Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCCCCCCCCCC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C.C[N+](C)(C)C[C@H](O)CC(=O)[O-]>>CCCCCCCCCCCCCCCC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C.C[N+](C)(C)C[C@H](O)CC(=O)[O-]
436 49920 49921; 49922 LR; RL 3.1.1.96 3.1.1 6 3 7 7 unclassified_unique_ec4 MCSA_748_1_0; MCSA_748_1_3; MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Thr80 Thr80 Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C.C[N+](C)(C)C[C@H](O)CC(=O)[O-]>>CCCCCCCC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C.C[N+](C)(C)C[C@H](O)CC(=O)[O-]
437 49924 49925; 49926 LR; RL 3.1.1.96 3.1.1 6 3 7 7 unclassified_unique_ec4 MCSA_748_1_0; MCSA_748_1_3; MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Thr80 Thr80 Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue *C(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C.C[N+](C)(C)C[C@H](O)CC(=O)[O-]>>*C(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C.C[N+](C)(C)C[C@H](O)CC(=O)[O-]
438 53636 53637; 53638 LR; RL 3.1.1.96 3.1.1 6 3 7 7 unclassified_unique_ec4 MCSA_748_1_0; MCSA_748_1_3; MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Thr80 Thr80 Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue *OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(C)=O.CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C>>CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(C)=O.*OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C
439 53692 53693; 53694 LR; RL 3.1.1.96 3.1.1 6 3 7 7 unclassified_unique_ec4 MCSA_748_1_0; MCSA_748_1_3; MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Thr80 Thr80 Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O[C@H](CO)COP(=O)([O-])OCC[N+](C)(C)C.[H]O[H]>>CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)[O-].C[N+](C)(C)CCOP(=O)([O-])OC[C@H](O)CO.[H+]
440 54428 54429; 54430 LR; RL 3.1.1.96 3.1.1 6 3 7 7 unclassified_unique_ec4 MCSA_748_1_0; MCSA_748_1_3; MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Thr80 Thr80 Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue *N[C@@H](CC(=O)OC1O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C3N=CN=C4N)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O)C(*)=O.[H]O[H]>>*N[C@@H](CC(=O)[O-])C(*)=O.NC1=C2/N=C\N([C@@H]3O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]4OC(O)[C@H](O)[C@@H]4O)[C@@H](O)[C@H]3O)C2=NC=N1.[H+]
441 58112 58113; 58114 LR; RL 3.1.1.96 3.1.1 6 3 7 7 unclassified_unique_ec4 MCSA_748_1_0; MCSA_748_1_3; MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Thr80 Thr80 Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CC(=O)O[C@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3/C=N\C4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O.[H]O[H]>>NC1=C2/N=C\N([C@@H]3O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]4OC(O)[C@H](O)[C@@H]4O)[C@@H](O)[C@H]3O)C2=NC=N1.CC(=O)[O-].[H+]
442 58248 58249; 58250 LR; RL 3.1.1.96 3.1.1 6 3 7 7 unclassified_unique_ec4 MCSA_748_1_0; MCSA_748_1_3; MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Thr80 Thr80 Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue *N[C@@H](CCC(=O)OC1O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C3N=CN=C4N)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O)C(*)=O.[H]O[H]>>*N[C@@H](CCC(=O)[O-])C(*)=O.NC1=C2/N=C\N([C@@H]3O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]4OC(O)[C@H](O)[C@@H]4O)[C@@H](O)[C@H]3O)C2=NC=N1.[H+]
443 59364 59365; 59366 LR; RL 3.1.1.96 3.1.1 6 3 7 7 unclassified_unique_ec4 MCSA_748_1_0; MCSA_748_1_3; MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Thr80 Thr80 Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OC[C@H]([NH3+])C(=O)[O-])OC(=O)CCCCCCCC1OC1CCCCCCCC.[H]O[H]>>CCCCCCCCC1OC1CCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OC[C@H]([NH3+])C(=O)[O-].[H+]
444 59368 59369; 59370 LR; RL 3.1.1.96 3.1.1 6 3 7 7 unclassified_unique_ec4 MCSA_748_1_0; MCSA_748_1_3; MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Thr80 Thr80 Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OC[C@H]([NH3+])C(=O)[O-])OC(=O)CCCCCCCCC(O)CCCCCCCC.[H]O[H]>>CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OC[C@H]([NH3+])C(=O)[O-].CCCCCCCCC(O)CCCCCCCCC(=O)[O-].[H+]
445 59512 59513; 59514 LR; RL 3.1.1.96 3.1.1 6 3 7 7 unclassified_unique_ec4 MCSA_748_1_0; MCSA_748_1_3; MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Thr80 Thr80 Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CC(=O)OC1=C(C(=O)[O-])C=CC=C1.*N[C@@H](CO)C(*)=O>>*N[C@@H](COC(C)=O)C(*)=O.O=C([O-])C1=C(O)C=CC=C1
446 63656 63657; 63658 LR; RL 3.1.1.96 3.1.1 6 3 7 7 unclassified_unique_ec4 MCSA_748_1_0; MCSA_748_1_3; MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Thr80 Thr80 Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCCCCCCCCCCOC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C.CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C>>[H][C@@](COCCCCCCCCCCCCCCCC)(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC.C[N+](C)(C)CCOP(=O)([O-])OC[C@H](O)CO
447 63760 63761; 63762 LR; RL 3.1.1.96 3.1.1 6 3 7 7 unclassified_unique_ec4 MCSA_748_1_0; MCSA_748_1_3; MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Thr80 Thr80 Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCCCCCCCCCCOC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C.CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OCC[NH3+]>>[H][C@@](COCCCCCCCCCCCCCCCC)(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC.[NH3+]CCOP(=O)([O-])OC[C@H](O)CO
448 63772 63773; 63774 LR; RL 3.1.1.96 3.1.1 6 3 7 7 unclassified_unique_ec4 MCSA_748_1_0; MCSA_748_1_3; MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Thr80 Thr80 Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue */C=C\OC[C@@H](O)COP(=O)([O-])OCC[NH3+].CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C>>*/C=C\OC[C@H](COP(=O)([O-])OCC[NH3+])OC(=O)CCCCCCCCCCCCCCC.C[N+](C)(C)CCOP(=O)([O-])OC[C@H](O)CO
449 67668 67669; 67670 LR; RL 3.1.1.96 3.1.1 6 3 7 7 unclassified_unique_ec4 MCSA_748_1_0; MCSA_748_1_3; MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Thr80 Thr80 Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue [1*]C(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C.[1*]C(=O)OC[C@H](COP(=O)([O-])OCC[NH3+])OC([2*])=O>>[1*]C(=O)OC[C@@H](O)COP(=O)([O-])OCC[NH3+].[1*]C(=O)OC[C@]([H])(COP(=O)([O-])OCC[N+](C)(C)C)OC([2*])=O
450 67672 67673; 67674 LR; RL 3.1.1.96 3.1.1 6 3 7 7 unclassified_unique_ec4 MCSA_748_1_0; MCSA_748_1_3; MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Thr80 Thr80 Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue [1*]C(=O)OC[C@H](COP(=O)([O-])[O-])OC([2*])=O.[1*]C(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C>>*C(=O)OC[C@@H](O)COP(=O)([O-])[O-].[1*]C(=O)OC[C@]([H])(COP(=O)([O-])OCC[N+](C)(C)C)OC([2*])=O
451 78023 78024; 78025 LR; RL 3.1.1.96 3.1.1 6 3 7 7 unclassified_unique_ec4 MCSA_748_1_0; MCSA_748_1_3; MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Thr80 Thr80 Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue *OC[C@H](CO)OC(C)=O.[1*]C(=O)OC[C@]([H])(COP(=O)([O-])OCC[N+](C)(C)C)OC([2*])=O>>*OC[C@H](COC(*)=O)OC(C)=O.[1*]C(=O)O[C@H](CO)COP(=O)([O-])OCC[N+](C)(C)C
452 78027 78028; 78029 LR; RL 3.1.1.96 3.1.1 6 3 7 7 unclassified_unique_ec4 MCSA_748_1_0; MCSA_748_1_3; MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Thr80 Thr80 Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue *OC[C@H](CO)OC(C)=O.[1*]C(=O)OC[C@]([H])(COP(=O)([O-])OCC[N+](C)(C)C)OC([2*])=O>>*OC[C@H](COC(*)=O)OC(C)=O.[1*]C(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C
453 78039 78040; 78041 LR; RL 3.1.1.96 3.1.1 6 3 7 7 unclassified_unique_ec4 MCSA_748_1_0; MCSA_748_1_3; MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Thr80 Thr80 Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue *OCC(O)CO.[1*]C(=O)OC[C@]([H])(COP(=O)([O-])OCC[N+](C)(C)C)OC([2*])=O>>*OCC(O)COC(*)=O.[1*]C(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C
454 78043 78044; 78045 LR; RL 3.1.1.96 3.1.1 6 3 7 7 unclassified_unique_ec4 MCSA_748_1_0; MCSA_748_1_3; MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Thr80 Thr80 Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue *OCC(O)CO.[1*]C(=O)OC[C@]([H])(COP(=O)([O-])OCC[N+](C)(C)C)OC([2*])=O>>*OCC(O)COC(*)=O.[1*]C(=O)O[C@H](CO)COP(=O)([O-])OCC[N+](C)(C)C
455 78047 78048; 78049 LR; RL 3.1.1.96 3.1.1 6 3 7 7 unclassified_unique_ec4 MCSA_748_1_0; MCSA_748_1_3; MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Thr80 Thr80 Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue *OCC(CO)OC(C)=O.[1*]C(=O)OC[C@]([H])(COP(=O)([O-])OCC[N+](C)(C)C)OC([2*])=O>>*OCC(COC(*)=O)OC(C)=O.[1*]C(=O)O[C@H](CO)COP(=O)([O-])OCC[N+](C)(C)C
456 78051 78052; 78053 LR; RL 3.1.1.96 3.1.1 6 3 7 7 unclassified_unique_ec4 MCSA_748_1_0; MCSA_748_1_3; MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Thr80 Thr80 Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue *OCC(CO)OC(C)=O.[1*]C(=O)OC[C@]([H])(COP(=O)([O-])OCC[N+](C)(C)C)OC([2*])=O>>*OCC(COC(*)=O)OC(C)=O.[1*]C(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C
457 78127 78128; 78129 LR; RL 3.1.1.96 3.1.1 6 3 7 7 unclassified_unique_ec4 MCSA_748_1_0; MCSA_748_1_3; MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Thr80 Thr80 Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue [1*]C(=O)O[C@H](CO)COP(=O)([O-])OCC[N+](C)(C)C.[1*]C(=O)OC[C@H](COP(=O)([O-])OCC[NH3+])OC([2*])=O>>*C(=O)O[C@H](CO)COP(=O)([O-])OCC[NH3+].[1*]C(=O)OC[C@]([H])(COP(=O)([O-])OCC[N+](C)(C)C)OC([2*])=O
458 78163 78164; 78165 LR; RL 3.1.1.96 3.1.1 6 3 7 7 unclassified_unique_ec4 MCSA_748_1_0; MCSA_748_1_3; MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Thr80 Thr80 Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue [1*]C(=O)O[C@H](CO)COP(=O)([O-])OCC[N+](C)(C)C.[1*]C(=O)OC[C@H](COP(=O)([O-])OCC[NH3+])OC([2*])=O>>[1*]C(=O)OC[C@@H](O)COP(=O)([O-])OCC[NH3+].[1*]C(=O)OC[C@]([H])(COP(=O)([O-])OCC[N+](C)(C)C)OC([2*])=O
459 78431 78432; 78433 LR; RL 3.1.1.96 3.1.1 6 3 7 7 unclassified_unique_ec4 MCSA_748_1_0; MCSA_748_1_3; MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Thr80 Thr80 Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue *C(=O)O[C@@H](CO)CO[1*].[1*]C(=O)OC[C@]([H])(COP(=O)([O-])OCC[N+](C)(C)C)OC([2*])=O>>*OC[C@H](COC(*)=O)OC(*)=O.[1*]C(=O)O[C@H](CO)COP(=O)([O-])OCC[N+](C)(C)C
460 78435 78436; 78437 LR; RL 3.1.1.96 3.1.1 6 3 7 7 unclassified_unique_ec4 MCSA_748_1_0; MCSA_748_1_3; MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Thr80 Thr80 Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue *C(=O)O[C@@H](CO)CO[1*].[1*]C(=O)OC[C@]([H])(COP(=O)([O-])OCC[N+](C)(C)C)OC([2*])=O>>*OC[C@H](COC(*)=O)OC(*)=O.[1*]C(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C
461 79435 79436; 79437 LR; RL 3.1.1.96 3.1.1 6 3 7 7 unclassified_unique_ec4 MCSA_748_1_0; MCSA_748_1_3; MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Thr80 Thr80 Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue */C=C\OC[C@@H](O)COP(=O)([O-])OCC[NH3+].[1*]C(=O)OC[C@]([H])(COP(=O)([O-])OCC[N+](C)(C)C)OC([2*])=O>>*/C=C\OC[C@H](COP(=O)([O-])OCC[NH3+])OC(*)=O.[1*]C(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C
462 80535 80536; 80537 LR; RL 3.1.1.96 3.1.1 6 3 7 7 unclassified_unique_ec4 MCSA_748_1_0; MCSA_748_1_3; MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Thr80 Thr80 Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue *C(=O)OC[C@H](COP(=O)([O-])OCC(O)COP(=O)([O-])OC[C@@H](CO)OC(*)=O)OC(*)=O.[1*]C(=O)OC[C@]([H])(COP(=O)([O-])OCC[N+](C)(C)C)OC([2*])=O>>[1*]C(=O)OC[C@H](COP(=O)([O-])OCC(O)COP(=O)([O-])OC[C@@H](COC([3*])=O)OC([4*])=O)OC([2*])=O.[1*]C(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C
463 81535 81536; 81537 LR; RL 3.1.1.96 3.1.1 6 3 7 7 unclassified_unique_ec4 MCSA_748_1_0; MCSA_748_1_3; MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Thr80 Thr80 Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCC/C=C/C=C/C=C(\C)[C@@H]1OC[C@H](C)[C@H](OC)[C@H]1O.[NH3+]CC(=O)[O-].[H+]>>CCC/C=C/C=C/C=C(\C)[C@@H]1OC[C@H](C)[C@H](OC)[C@H]1OC(=O)C[NH3+].[H]O[H]
464 85879 85880; 85881 LR; RL 3.1.1.96 3.1.1 6 3 7 7 unclassified_unique_ec4 MCSA_748_1_0; MCSA_748_1_3; MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Thr80 Thr80 Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue [H][C@]12C[C@H](CC)[C@]3([H])[NH+](CCC4=C(NC5=C4C=C(OC)C=C5)[C@]3(C(=O)OC)C1)C2.[H]O[H]>>[H][C@@]12C[C@H](CC)[C@@]3([H])[C@@](C(=O)[O-])(C1)C1=C(CC[N@@+]3([H])C2)C2=C(C=CC(OC)=C2)N1.CO.[H+]
465 45632 45633; 45634 LR; RL 3.1.3.7 3.1.3 1 1 6 6 unclassified_unique_ec4 MCSA_904_1_0 904 3.1.3.7 6 add:O~P:-,del:O~P:- Asp142; Asp145; Asp294; Asp49; Glu72; Ile144; Thr147 Asp142; Asp145; Asp294; Asp49; Glu72; Ile144; Thr147 Asp142; Asp145; Asp294; Asp49; Glu72; Ile144; Thr147 adenosine 3',5'-bismonophosphate(4-) + water -> adenosine 5'-monophosphate(2-) + hydrogenphosphate CCCCCCCC(=O)OC[C@H](COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](OP(=O)([O-])[O-])[C@@H](O)[C@H](OP(=O)([O-])[O-])[C@H]1O)OC(=O)CCCCCCC.[H]O[H]>>CCCCCCCC(=O)OC[C@H](COP(=O)([O-])O[C@H]1[C@H](O)[C@@H](OP(=O)([O-])[O-])[C@H](O)[C@@H](O)[C@H]1O)OC(=O)CCCCCCC.O=P([O-])([O-])O
466 45636 45637; 45638 LR; RL 3.1.3.7 3.1.3 1 1 6 6 unclassified_unique_ec4 MCSA_904_1_0 904 3.1.3.7 6 add:O~P:-,del:O~P:- Asp142; Asp145; Asp294; Asp49; Glu72; Ile144; Thr147 Asp142; Asp145; Asp294; Asp49; Glu72; Ile144; Thr147 Asp142; Asp145; Asp294; Asp49; Glu72; Ile144; Thr147 adenosine 3',5'-bismonophosphate(4-) + water -> adenosine 5'-monophosphate(2-) + hydrogenphosphate CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](OP(=O)([O-])[O-])[C@@H](O)[C@H](OP(=O)([O-])[O-])[C@H]1O)OC(=O)CCCCCCCCCCCCCCC.[H]O[H]>>CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])O[C@H]1[C@H](O)[C@@H](OP(=O)([O-])[O-])[C@H](O)[C@@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCC.O=P([O-])([O-])O
467 52532 52533; 52534 LR; RL 3.1.3.7 3.1.3 1 1 6 6 unclassified_unique_ec4 MCSA_904_1_0 904 3.1.3.7 6 add:O~P:-,del:O~P:- Asp142; Asp145; Asp294; Asp49; Glu72; Ile144; Thr147 Asp142; Asp145; Asp294; Asp49; Glu72; Ile144; Thr147 Asp142; Asp145; Asp294; Asp49; Glu72; Ile144; Thr147 adenosine 3',5'-bismonophosphate(4-) + water -> adenosine 5'-monophosphate(2-) + hydrogenphosphate NC1=C2N=CN([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)C2=NC=N1.NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]2O)C(=O)N1>>NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]2O)C(=O)N1.NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O.[H+]
468 62120 62121; 62122 LR; RL 3.1.3.7 3.1.3 1 1 6 6 unclassified_unique_ec4 MCSA_904_1_0 904 3.1.3.7 6 add:O~P:-,del:O~P:- Asp142; Asp145; Asp294; Asp49; Glu72; Ile144; Thr147 Asp142; Asp145; Asp294; Asp49; Glu72; Ile144; Thr147 Asp142; Asp145; Asp294; Asp49; Glu72; Ile144; Thr147 adenosine 3',5'-bismonophosphate(4-) + water -> adenosine 5'-monophosphate(2-) + hydrogenphosphate [H][C@]1(COP(=O)([O-])OP(=O)([O-])[O-])O[C@@]([H])(N2C=C(CO)C(N)=NC2=O)C[C@@H]1O.NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O>>NC1=NC(=O)N([C@H]2C[C@H](O)[C@@H](COP(=O)([O-])[O-])O2)C=C1CO.NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O
469 62336 62337; 62338 LR; RL 3.1.3.7 3.1.3 1 1 6 6 unclassified_unique_ec4 MCSA_904_1_0 904 3.1.3.7 6 add:O~P:-,del:O~P:- Asp142; Asp145; Asp294; Asp49; Glu72; Ile144; Thr147 Asp142; Asp145; Asp294; Asp49; Glu72; Ile144; Thr147 Asp142; Asp145; Asp294; Asp49; Glu72; Ile144; Thr147 adenosine 3',5'-bismonophosphate(4-) + water -> adenosine 5'-monophosphate(2-) + hydrogenphosphate NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](OP(=O)([O-])OP(=O)([O-])[O-])[C@H]1O.NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O.[H+]>>NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O.NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O
470 69180 69181; 69182 LR; RL 3.1.3.7 3.1.3 1 1 6 6 unclassified_unique_ec4 MCSA_904_1_0 904 3.1.3.7 6 add:O~P:-,del:O~P:- Asp142; Asp145; Asp294; Asp49; Glu72; Ile144; Thr147 Asp142; Asp145; Asp294; Asp49; Glu72; Ile144; Thr147 Asp142; Asp145; Asp294; Asp49; Glu72; Ile144; Thr147 adenosine 3',5'-bismonophosphate(4-) + water -> adenosine 5'-monophosphate(2-) + hydrogenphosphate CC1=NC(N)=C(C[N+]2=CSC(CCOP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])=C2C)C=N1.NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O>>CC1=NC(N)=C(C[N+]2=CSC(CCOP(=O)([O-])OP(=O)([O-])[O-])=C2C)C=N1.NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O
471 56300 56301; 56302 LR; RL 5.3.4.1 5.3.4 2 1 6 6 unclassified_unique_ec4 MCSA_512_2_0 512 5.3.4.1 6 add:S~S:-,del:S~S:- Asp95 Asp95; Cys101; Cys98 Arg125; Asp95; Cys101; Cys98 protein with two disulfide bridges (configuration A) -> protein with two disulfide bridges (Configuration B) *N[C@@H](CSS)C(*)=O.*N[C@@H](CS)C(*)=O.*N[C@@H](CS)C(*)=O>>*N[C@@H](CSSC[C@H](N*)C(*)=O)C(*)=O.*N[C@@H](CS)C(*)=O.[H][S-].[H+]
472 61596 61597; 61598 LR; RL 5.3.4.1 5.3.4 2 1 6 6 unclassified_unique_ec4 MCSA_512_2_0 512 5.3.4.1 6 add:S~S:-,del:S~S:- Asp95 Asp95; Cys101; Cys98 Arg125; Asp95; Cys101; Cys98 protein with two disulfide bridges (configuration A) -> protein with two disulfide bridges (Configuration B) *N[C@@H](CS)C(*)=O.*N[C@@H](CS)C(*)=O.*N[C@@H](CSSC[C@H](N*)C(*)=O)C(*)=O>>*N[C@@H](CSSC[C@H](N*)C(*)=O)C(*)=O.*N[C@@H](CS)C(*)=O.*N[C@@H](CS)C(*)=O
473 61600 61601; 61602 LR; RL 5.3.4.1 5.3.4 2 1 6 6 unclassified_unique_ec4 MCSA_512_2_0 512 5.3.4.1 6 add:S~S:-,del:S~S:- Asp95 Asp95; Cys101; Cys98 Arg125; Asp95; Cys101; Cys98 protein with two disulfide bridges (configuration A) -> protein with two disulfide bridges (Configuration B) *N[C@@H](CSSC[C@H](N*)C(*)=O)C(*)=O.*N[C@@H](CS)C(*)=O.*N[C@@H](CS)C(*)=O>>*N[C@@H](CS)C(*)=O.*N[C@@H](CS)C(*)=O.*N[C@@H](CSSC[C@H](N*)C(*)=O)C(*)=O
474 61604 61605; 61606 LR; RL 5.3.4.1 5.3.4 2 1 6 6 unclassified_unique_ec4 MCSA_512_2_0 512 5.3.4.1 6 add:S~S:-,del:S~S:- Asp95 Asp95; Cys101; Cys98 Arg125; Asp95; Cys101; Cys98 protein with two disulfide bridges (configuration A) -> protein with two disulfide bridges (Configuration B) *N[C@@H](CSSC[C@H](N*)C(*)=O)C(*)=O.*N[C@@H](CS)C(*)=O.*N[C@@H](CS)C(*)=O>>*N[C@@H](CSSC[C@H](N*)C(*)=O)C(*)=O.*N[C@@H](CS)C(*)=O.*N[C@@H](CS)C(*)=O
475 86267 86268; 86269 LR; RL 5.3.4.1 5.3.4 2 1 6 6 unclassified_unique_ec4 MCSA_512_2_0 512 5.3.4.1 6 add:S~S:-,del:S~S:- Asp95 Asp95; Cys101; Cys98 Arg125; Asp95; Cys101; Cys98 protein with two disulfide bridges (configuration A) -> protein with two disulfide bridges (Configuration B) *N[C@@H](CSSC[C@H](N*)C(*)=O)C(*)=O.[NH3+][C@@H](CS)C(=O)[O-].[NH3+][C@@H](CS)C(=O)[O-]>>*N[C@@H](CS)C(*)=O.*N[C@@H](CS)C(*)=O.[NH3+][C@@H](CSSC[C@H]([NH3+])C(=O)[O-])C(=O)[O-]
476 86315 86316; 86317 LR; RL 5.3.4.1 5.3.4 2 1 6 6 unclassified_unique_ec4 MCSA_512_2_0 512 5.3.4.1 6 add:S~S:-,del:S~S:- Asp95 Asp95; Cys101; Cys98 Arg125; Asp95; Cys101; Cys98 protein with two disulfide bridges (configuration A) -> protein with two disulfide bridges (Configuration B) [NH3+][C@@H](CS)C(=O)NCC(=O)[O-].[NH3+][C@@H](CS)C(=O)NCC(=O)[O-].*N[C@@H](CSSC[C@H](N*)C(*)=O)C(*)=O>>[NH3+][C@@H](CSSC[C@H]([NH3+])C(=O)NCC(=O)[O-])C(=O)NCC(=O)[O-].*N[C@@H](CS)C(*)=O.*N[C@@H](CS)C(*)=O
477 50312 50313; 50314 LR; RL 4.1.2.38 4.1.2 2 2 6 6 unclassified_unique_ec4 MCSA_221_1_0; MCSA_221_1_1 221 4.1.2.38 6 chg:C~O:->=,del:C~C:- Glu50; His29 Glu50; His29 Gln113; Glu50; Gly419; His29 benzoin -> 2 benzaldehyde CCCC(=O)C(=O)[O-].[H+]>>[H]C(=O)CCC.O=C=O
478 54364 54365; 54366 LR; RL 4.1.2.38 4.1.2 2 2 6 6 unclassified_unique_ec4 MCSA_221_1_0; MCSA_221_1_1 221 4.1.2.38 6 chg:C~O:->=,del:C~C:- Glu50; His29 Glu50; His29 Gln113; Glu50; Gly419; His29 benzoin -> 2 benzaldehyde CC(=O)C(C)O>>[H]C(C)=O.[H]C(C)=O
479 55072 55073; 55074 LR; RL 4.1.2.38 4.1.2 2 2 6 6 unclassified_unique_ec4 MCSA_221_1_0; MCSA_221_1_1 221 4.1.2.38 6 chg:C~O:->=,del:C~C:- Glu50; His29 Glu50; His29 Gln113; Glu50; Gly419; His29 benzoin -> 2 benzaldehyde CCC(=O)C(=O)[O-].[H+]>>[H]C(=O)CC.O=C=O
480 55076 55077; 55078 LR; RL 4.1.2.38 4.1.2 2 2 6 6 unclassified_unique_ec4 MCSA_221_1_0; MCSA_221_1_1 221 4.1.2.38 6 chg:C~O:->=,del:C~C:- Glu50; His29 Glu50; His29 Gln113; Glu50; Gly419; His29 benzoin -> 2 benzaldehyde CSCCC(=O)C(=O)[O-].[H+]>>CSCCC=O.O=C=O
481 55196 55197; 55198 LR; RL 4.1.2.38 4.1.2 2 2 6 6 unclassified_unique_ec4 MCSA_221_1_0; MCSA_221_1_1 221 4.1.2.38 6 chg:C~O:->=,del:C~C:- Glu50; His29 Glu50; His29 Gln113; Glu50; Gly419; His29 benzoin -> 2 benzaldehyde CCCCCCCCCCCCCCCCC(O)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1OP(=O)([O-])[O-]>>[H]C(=O)CCCCCCCCCCCCCCCC.[H]C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1OP(=O)([O-])[O-]
482 55212 55213; 55214 LR; RL 4.1.2.38 4.1.2 2 2 6 6 unclassified_unique_ec4 MCSA_221_1_0; MCSA_221_1_1 221 4.1.2.38 6 chg:C~O:->=,del:C~C:- Glu50; His29 Glu50; His29 Gln113; Glu50; Gly419; His29 benzoin -> 2 benzaldehyde CCCCCCCCCCCCCC[C@@H](O)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1OP(=O)([O-])[O-]>>[H]C(=O)CCCCCCCCCCCCCC.[H]C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1OP(=O)([O-])[O-]
483 67448 67449; 67450 LR; RL 4.1.2.38 4.1.2 2 2 6 6 unclassified_unique_ec4 MCSA_221_1_0; MCSA_221_1_1 221 4.1.2.38 6 chg:C~O:->=,del:C~C:- Glu50; His29 Glu50; His29 Gln113; Glu50; Gly419; His29 benzoin -> 2 benzaldehyde CCCCCCCCCCCCCCCC[C@@H](O)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1OP(=O)([O-])[O-]>>[H]C(=O)CCCCCCCCCCCCCCCC.[H]C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1OP(=O)([O-])[O-]
484 69424 69425; 69426 LR; RL 4.1.2.38 4.1.2 2 2 6 6 unclassified_unique_ec4 MCSA_221_1_0; MCSA_221_1_1 221 4.1.2.38 6 chg:C~O:->=,del:C~C:- Glu50; His29 Glu50; His29 Gln113; Glu50; Gly419; His29 benzoin -> 2 benzaldehyde CC(C)(O)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1OP(=O)([O-])[O-]>>[H]C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1OP(=O)([O-])[O-].CC(C)=O
485 72083 72084; 72085 LR; RL 4.6.1.18 4.6.1 2 2 6 6 unclassified_unique_ec4 MCSA_530_1_0; MCSA_693_1_0 530; 693 3.1.-.-; 4.6.1.18 6 add:O~P:-,del:O~P:- Glu517; His513; His116; His12 Glu517; His513; His116; His12 Arg545; Asp510; Glu517; His513; His116; His12; Lys40 RNA (poly(A)) + water -> RNA (poly(A)) + RNA (poly(A)); messenger RNA + water -> 3'-end ribonucleotide(1-) residue + 5'-end ribonucleotide(1-) residue NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@H](OP(=O)([O-])[O-])[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O.[H+]>>NC1=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]4O[C@@H]5OP(=O)([O-])O[C@@H]5[C@@H]4O)[C@@H](O)[C@H]3O)C2=NC=N1.[H]O[H]
486 79531 79532; 79533 LR; RL 4.6.1.18 4.6.1 2 2 6 6 unclassified_unique_ec4 MCSA_530_1_0; MCSA_693_1_0 530; 693 3.1.-.-; 4.6.1.18 6 add:O~P:-,del:O~P:- Glu517; His513; His116; His12 Glu517; His513; His116; His12 Arg545; Asp510; Glu517; His513; His116; His12; Lys40 RNA (poly(A)) + water -> RNA (poly(A)) + RNA (poly(A)); messenger RNA + water -> 3'-end ribonucleotide(1-) residue + 5'-end ribonucleotide(1-) residue NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@@H](O)[C@@H](O)[C@H](O)C(=O)CO)[C@@H](O)[C@H]2O)C=C1.O=P([O-])([O-])OP(=O)([O-])O>>O=C(CO)[C@@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-].NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]2O)C=C1.[H+]
487 83679 83680; 83681 LR; RL 4.6.1.18 4.6.1 2 2 6 6 unclassified_unique_ec4 MCSA_530_1_0; MCSA_693_1_0 530; 693 3.1.-.-; 4.6.1.18 6 add:O~P:-,del:O~P:- Glu517; His513; His116; His12 Glu517; His513; His116; His12 Arg545; Asp510; Glu517; His513; His116; His12; Lys40 RNA (poly(A)) + water -> RNA (poly(A)) + RNA (poly(A)); messenger RNA + water -> 3'-end ribonucleotide(1-) residue + 5'-end ribonucleotide(1-) residue NC1=NC=NC2=C1/N=C\N2[C@@H]1O[C@H](COP(=O)([O-])O[C@H]2[C@H](O)[C@@H]([NH3+])[C@@H](O[C@H]3[C@H](O[C@@H]4O[C@H](CO)[C@@H](O[C@H]5O[C@@H](C[NH3+])[C@@H](O)[C@H](O)[C@H]5[NH3+])[C@H]4O)[C@@H](O)[C@H]([NH3+])C[C@@H]3[NH3+])O[C@@H]2CO)[C@@H](O)[C@H]1O.O=P([O-])([O-])OP(=O)([O-])O>>[NH3+]C[C@@H]1O[C@H](O[C@H]2[C@@H](O)[C@H](O[C@@H]3[C@@H](O)[C@H]([NH3+])C[C@H]([NH3+])[C@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3[NH3+])O[C@@H]2CO)[C@H]([NH3+])[C@@H](O)[C@@H]1O.NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O
488 48972 48973; 48974 LR; RL 4.6.1.18 4.6.1 4 2 6 6 unclassified_unique_ec4 MCSA_530_1_0; MCSA_693_1_0 530; 693 3.1.-.-; 4.6.1.18 6 add:O~P:-,del:O~P:- Glu517; His513; His116; His12 Glu517; His513; His116; His12 Arg545; Asp510; Glu517; His513; His116; His12; Lys40 RNA (poly(A)) + water -> RNA (poly(A)) + RNA (poly(A)); messenger RNA + water -> 3'-end ribonucleotide(1-) residue + 5'-end ribonucleotide(1-) residue [H]OP(O[H])O[H].NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O.[H]O[H]>>[H]OP(O[H])O[H].NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O.O=P([O-])([O-])O.[H+]
489 68352 68353; 68354 LR; RL 4.6.1.18 4.6.1 4 2 6 6 unclassified_unique_ec4 MCSA_530_1_0; MCSA_693_1_0 530; 693 3.1.-.-; 4.6.1.18 6 add:O~P:-,del:O~P:- Glu517; His513; His116; His12 Glu517; His513; His116; His12 Arg545; Asp510; Glu517; His513; His116; His12; Lys40 RNA (poly(A)) + water -> RNA (poly(A)) + RNA (poly(A)); messenger RNA + water -> 3'-end ribonucleotide(1-) residue + 5'-end ribonucleotide(1-) residue NC1=NC2=C(/N=C\N2[C@@H]2O[C@H](COP(=O)([O-])O[C@@H]3[C@H](O)[C@@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])O[C@H]3N3/C=N\C4=C(N)N=CN=C43)[C@@H](O)[C@H]2O)C(=O)N1>>NC1=NC2=C(/N=C\N2[C@@H]2O[C@@H]3COP(=O)([O-])O[C@@H]4[C@H](O)[C@@H](COP(=O)([O-])O[C@H]3[C@H]2O)O[C@H]4N2/C=N\C3=C2N=CN=C3N)C(=O)N1.O=P([O-])([O-])OP(=O)([O-])O
490 45952 45953; 45954 LR; RL 3.2.2.3 3.2.2 3 3 6 6 unclassified_unique_ec4 MCSA_71_2_0; MCSA_71_3_0; MCSA_71_4_0 71 3.2.2.3 6 add:C~O:-,del:C~N:- Asp64; His187 Asp64; His187 Asp64; His187; Phe77; Tyr66 water + 2'-deoxyuridine -> uracil + 2-deoxy-D-ribofuranose *N[C@@H](CC(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(*)=O.O=C1C=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]2O)C(=O)N1.[H+]>>*N[C@@H](CC(N)=O)C(*)=O.O=C1C=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)C(=O)N1
491 55624 55625; 55626 LR; RL 3.2.2.3 3.2.2 3 3 6 6 unclassified_unique_ec4 MCSA_71_2_0; MCSA_71_3_0; MCSA_71_4_0 71 3.2.2.3 6 add:C~O:-,del:C~N:- Asp64; His187 Asp64; His187 Asp64; His187; Phe77; Tyr66 water + 2'-deoxyuridine -> uracil + 2-deoxy-D-ribofuranose *O[C@H]1C[C@H](N2C=CC(N)=[N+](C)C2=O)O[C@@H]1COP(*)(=O)[O-].[H]O[H]>>CN1C(=O)N=CC=C1N.*O[C@H]1CC(O)O[C@@H]1COP(*)(=O)[O-].[H+]
492 58252 58253; 58254 LR; RL 3.2.2.3 3.2.2 3 3 6 6 unclassified_unique_ec4 MCSA_71_2_0; MCSA_71_3_0; MCSA_71_4_0 71 3.2.2.3 6 add:C~O:-,del:C~N:- Asp64; His187 Asp64; His187 Asp64; His187; Phe77; Tyr66 water + 2'-deoxyuridine -> uracil + 2-deoxy-D-ribofuranose *N[C@@H](CC(=O)NC1O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C3N=CN=C4N)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O)C(*)=O.[H]O[H]>>*N[C@@H](CC(N)=O)C(*)=O.NC1=C2/N=C\N([C@@H]3O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]4OC(O)[C@H](O)[C@@H]4O)[C@@H](O)[C@H]3O)C2=NC=N1
493 83571 83572; 83573 LR; RL 3.2.2.3 3.2.2 3 3 6 6 unclassified_unique_ec4 MCSA_71_2_0; MCSA_71_3_0; MCSA_71_4_0 71 3.2.2.3 6 add:C~O:-,del:C~N:- Asp64; His187 Asp64; His187 Asp64; His187; Phe77; Tyr66 water + 2'-deoxyuridine -> uracil + 2-deoxy-D-ribofuranose *O[C@H]1C[C@H](N2C=CC3=NC=CN3C2=O)O[C@@H]1COP(*)(=O)[O-].[H]O[H]>>O=C1N/C=C\C2=NC=CN12.*O[C@H]1CC(O)O[C@@H]1COP(*)(=O)[O-]
1 rank rhea_master_id rhea_ids directions rhea_ecs predicted_ec4s predicted_ec3s hit_count hit_rule_count hit_rule_size_min hit_rule_size_max best_match_level_to_rhea_ec bucket top_mcsa_sog_ids top_mcsa_entries top_mcsa_ecs top_sog_sizes top_event_signatures expected_amino_acids_removed_catalyst expected_amino_acids_overlay expected_amino_acids_all_mcsa_entry top_sog_reactions example_rhea_smiles
2 1 62920 62921; 62922 LR; RL 4.2.1.46 4.2.1 8 8 11 13 unclassified_unique_ec4 MCSA_228_1_0; MCSA_228_1_2; MCSA_228_2_0; MCSA_228_2_2; MCSA_228_1_1 228 4.2.1.46 13; 11 chg:C~O:->=,del:C~O:- Asp135; Glu136; Tyr160 Asp135; Glu136; Tyr160 Asp135; Glu136; Lys164; Thr134; Tyr160 dTDP-alpha-D-glucose(2-) -> water + dTDP-4-dehydro-6-deoxy-alpha-D-glucose(2-) [H][C@@]12CC[C@]([H])([C@H](C)CCCC(C)(C)O)[C@@]1(C)CCC/C2=C\C=C1\C[C@@H](O)[C@@H](OC(O)CCO)[C@H](O)C1=C>>[H][C@@]12CC[C@]([H])([C@H](C)CCCC(C)(C)O)[C@@]1(C)CCC/C2=C\C=C1\C[C@@H](O)[C@@H](O)[C@H](O)C1=C.[H]C(=O)CCO
3 2 17457 17458; 17459 LR; RL 2.8.1.7 2.8.1 1 1 12 12 unclassified_unique_ec4 MCSA_855_1_1 855 2.8.1.7 12 add:S~S:-,del:C~S:- His123; Lys226 Cys364; His123; Lys226 Asp200; Cys364; Gln203; His123; Lys226 L-cysteine zwitterion + L-cysteine residue -> L-alanine zwitterion + 3-disulfanyl-L-alanine residue *N[C@@H](CS)C(*)=O.[NH3+][C@@H](CS)C(=O)[O-]>>*N[C@@H](CSS)C(*)=O.C[C@H]([NH3+])C(=O)[O-]
4 3 78543 78544; 78545 LR; RL 2.8.1.7 2.8.1 1 1 12 12 unclassified_unique_ec4 MCSA_855_1_1 855 2.8.1.7 12 add:S~S:-,del:C~S:- His123; Lys226 Cys364; His123; Lys226 Asp200; Cys364; Gln203; His123; Lys226 L-cysteine zwitterion + L-cysteine residue -> L-alanine zwitterion + 3-disulfanyl-L-alanine residue [NH3+][C@@H](CS)C(=O)[O-].[NH3+][C@@H](CS)C(=O)[O-]>>[NH3+][C@@H](CSS)C(=O)[O-].C[C@H]([NH3+])C(=O)[O-]
5 4 78627 78628; 78629 LR; RL 2.8.1.7 2.8.1 1 1 12 12 unclassified_unique_ec4 MCSA_855_1_1 855 2.8.1.7 12 add:S~S:-,del:C~S:- His123; Lys226 Cys364; His123; Lys226 Asp200; Cys364; Gln203; His123; Lys226 L-cysteine zwitterion + L-cysteine residue -> L-alanine zwitterion + 3-disulfanyl-L-alanine residue [NH3+][C@@H](CSS)C(=O)[O-].[NH3+][C@@H](CS)C(=O)[O-]>>[NH3+][C@@H](CSSS)C(=O)[O-].C[C@H]([NH3+])C(=O)[O-]
6 5 31247 31248; 31249 LR; RL 1.1.2.10 1.1.2 3 3 12 12 unclassified_unique_ec4 MCSA_997_1_0; MCSA_997_2_0; MCSA_997_3_0 997 1.1.2.10 12 chg:C~C:->=,chg:C~O:->=,chg:C~O:=>-,chg:C~O:=>- Asn256; Asp299; Asp301; Glu172 Asn256; Asp299; Asp301; Glu172 Asn256; Asp299; Asp301; Glu172 methanol + pyrroloquinoline quinone -> formaldehyde + pyrroloquinoline quinol C#CCO.O=C([O-])C1=CC2=C(N1)C1=C(\N=C(C(=O)[O-])\C=C/1C(=O)[O-])C(=O)C2=O>>C#CC=O.O=C([O-])C1=CC2=C(N1)C1=C(N=C(C(=O)[O-])C=C1C(=O)[O-])/C([O-])=C\2O.[H+]
7 6 31263 31264; 31265 LR; RL 1.1.2.10 1.1.2 3 3 12 12 unclassified_unique_ec4 MCSA_997_1_0; MCSA_997_2_0; MCSA_997_3_0 997 1.1.2.10 12 chg:C~C:->=,chg:C~O:->=,chg:C~O:=>-,chg:C~O:=>- Asn256; Asp299; Asp301; Glu172 Asn256; Asp299; Asp301; Glu172 Asn256; Asp299; Asp301; Glu172 methanol + pyrroloquinoline quinone -> formaldehyde + pyrroloquinoline quinol C#CCCO.O=C([O-])C1=CC2=C(N1)C1=C(\N=C(C(=O)[O-])\C=C/1C(=O)[O-])C(=O)C2=O>>[H]C(=O)CC#C.O=C([O-])C1=CC2=C(N1)C1=C(N=C(C(=O)[O-])C=C1C(=O)[O-])/C([O-])=C\2O.[H+]
8 7 28058 28059; 28060 LR; RL 5.3.1.14 5.3.1 2 2 10 11 unclassified_unique_ec4 MCSA_488_2_0; MCSA_488_1_2 488 5.3.1.14 11; 10 chg:C~O:->=,del:C~O:- Asp267; Asp302; Asp304; Asp334; Glu234; His270; His294 Asp267; Asp302; Asp304; Asp334; Glu234; His270; His294 Asp267; Asp302; Asp304; Asp334; Glu234; His270; His294; Lys236; Trp193 L-rhamnopyranose -> L-rhamnulose OC1OC[C@H](O)[C@@H](O)[C@H]1O>>O=C(CO)[C@H](O)[C@@H](O)CO
9 8 61296 61297; 61298 LR; RL 5.3.1.14 5.3.1 2 2 10 11 unclassified_unique_ec4 MCSA_488_2_0; MCSA_488_1_2 488 5.3.1.14 11; 10 chg:C~O:->=,del:C~O:- Asp267; Asp302; Asp304; Asp334; Glu234; His270; His294 Asp267; Asp302; Asp304; Asp334; Glu234; His270; His294 Asp267; Asp302; Asp304; Asp334; Glu234; His270; His294; Lys236; Trp193 L-rhamnopyranose -> L-rhamnulose C[C@H]1O[C@H](OP(=O)([O-])[O-])[C@H](O)[C@@H]1O>>C[C@@H](O)[C@@H](O)C(=O)COP(=O)([O-])[O-]
10 9 71251 71252; 71253 LR; RL 5.3.1.14 5.3.1 2 2 10 11 unclassified_unique_ec4 MCSA_488_2_0; MCSA_488_1_2 488 5.3.1.14 11; 10 chg:C~O:->=,del:C~O:- Asp267; Asp302; Asp304; Asp334; Glu234; His270; His294 Asp267; Asp302; Asp304; Asp334; Glu234; His270; His294 Asp267; Asp302; Asp304; Asp334; Glu234; His270; His294; Lys236; Trp193 L-rhamnopyranose -> L-rhamnulose OC1OC[C@H](O)[C@@H](O)[C@@H]1O>>O=C(CO)[C@H](O)[C@@H](O)CO
11 10 28002 28003; 28004 LR; RL 4.1.2.13 4.1.2 3 3 11 11 unclassified_unique_ec4 MCSA_222_1_0; MCSA_222_1_40; MCSA_52_1_0 222; 52 4.1.2.13 11 add:C~C:-,add:C~O:-,chg:C~O:=>-,chg:C~O:=>- Glu187; Lys229; Tyr363; Asp109; Glu182; His110; His226; His264 Glu187; Lys229; Tyr363; Asp109; Glu182; His110; His226; His264 Asp33; Glu187; Glu189; Lys146; Lys229; Ser300; Tyr363; Asn286; Asp109; Glu182; His110; His226; His264 D-glyceraldehyde 3-phosphate(2-) + glycerone phosphate(2-) -> D-fructofuranose 1,6-bisphosphate(4-) O=C(CO)CO.[H]C(=O)[C@H](O)COP(=O)([O-])[O-]>>O=P([O-])([O-])OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O
12 11 30851 30852; 30853 LR; RL 4.1.2.13 4.1.2 3 3 11 11 unclassified_unique_ec4 MCSA_222_1_0; MCSA_222_1_40; MCSA_52_1_0 222; 52 4.1.2.13 11 add:C~C:-,add:C~O:-,chg:C~O:=>-,chg:C~O:=>- Glu187; Lys229; Tyr363; Asp109; Glu182; His110; His226; His264 Glu187; Lys229; Tyr363; Asp109; Glu182; His110; His226; His264 Asp33; Glu187; Glu189; Lys146; Lys229; Ser300; Tyr363; Asn286; Asp109; Glu182; His110; His226; His264 D-glyceraldehyde 3-phosphate(2-) + glycerone phosphate(2-) -> D-fructofuranose 1,6-bisphosphate(4-) [H]C(=O)[C@H](O)CO.O=C(CO)COP(=O)([O-])[O-]>>O=P([O-])([O-])OC[C@@]1(O)O[C@H](CO)[C@@H](O)[C@@H]1O
13 12 46328 46329; 46330 LR; RL 4.3.1.17 4.3.1 10 10 9 11 unclassified_unique_ec4 MCSA_186_1_0; MCSA_186_1_1; MCSA_956_1_2; MCSA_956_1_3; MCSA_956_2_2 186; 956 4.3.1.17 11; 10 add:C~O:=,del:C~N:-,del:C~O:- Lys41; Lys57 Lys41; Lys57 Ala222; Cys303; Lys41; Asp214; Glu208; Gly212; Lys57; Ser308; Ser82 L-serine zwitterion -> pyruvate + ammonium; L-serine zwitterion -> ammonium + pyruvate [NH3+][C@H](C(=O)[O-])[C@@H](O)C1=CC=CC=C1>>O=C([O-])C(=O)CC1=CC=CC=C1.[H][N+]([H])([H])[H]
14 13 58616 58617; 58618 LR; RL 4.3.1.17 4.3.1 10 10 9 11 unclassified_unique_ec4 MCSA_186_1_0; MCSA_186_1_1; MCSA_956_1_2; MCSA_956_1_3; MCSA_956_2_2 186; 956 4.3.1.17 11; 10 add:C~O:=,del:C~N:-,del:C~O:- Lys41; Lys57 Lys41; Lys57 Ala222; Cys303; Lys41; Asp214; Glu208; Gly212; Lys57; Ser308; Ser82 L-serine zwitterion -> pyruvate + ammonium; L-serine zwitterion -> ammonium + pyruvate CCCCCCCC(=O)N[C@@H](O)C(=O)[O-]>>CCCCCCCC(N)=O.[H]C(=O)C(=O)[O-]
15 14 58620 58621; 58622 LR; RL 4.3.1.17 4.3.1 10 10 9 11 unclassified_unique_ec4 MCSA_186_1_0; MCSA_186_1_1; MCSA_956_1_2; MCSA_956_1_3; MCSA_956_2_2 186; 956 4.3.1.17 11; 10 add:C~O:=,del:C~N:-,del:C~O:- Lys41; Lys57 Lys41; Lys57 Ala222; Cys303; Lys41; Asp214; Glu208; Gly212; Lys57; Ser308; Ser82 L-serine zwitterion -> pyruvate + ammonium; L-serine zwitterion -> ammonium + pyruvate CCCCCCCCCC(=O)N[C@@H](O)C(=O)[O-]>>CCCCCCCCCC(N)=O.[H]C(=O)C(=O)[O-]
16 15 58624 58625; 58626 LR; RL 4.3.1.17 4.3.1 10 10 9 11 unclassified_unique_ec4 MCSA_186_1_0; MCSA_186_1_1; MCSA_956_1_2; MCSA_956_1_3; MCSA_956_2_2 186; 956 4.3.1.17 11; 10 add:C~O:=,del:C~N:-,del:C~O:- Lys41; Lys57 Lys41; Lys57 Ala222; Cys303; Lys41; Asp214; Glu208; Gly212; Lys57; Ser308; Ser82 L-serine zwitterion -> pyruvate + ammonium; L-serine zwitterion -> ammonium + pyruvate CCCCCCCCCCCC(=O)N[C@@H](O)C(=O)[O-]>>CCCCCCCCCCCC(N)=O.[H]C(=O)C(=O)[O-]
17 16 58632 58633; 58634 LR; RL 4.3.1.17 4.3.1 10 10 9 11 unclassified_unique_ec4 MCSA_186_1_0; MCSA_186_1_1; MCSA_956_1_2; MCSA_956_1_3; MCSA_956_2_2 186; 956 4.3.1.17 11; 10 add:C~O:=,del:C~N:-,del:C~O:- Lys41; Lys57 Lys41; Lys57 Ala222; Cys303; Lys41; Asp214; Glu208; Gly212; Lys57; Ser308; Ser82 L-serine zwitterion -> pyruvate + ammonium; L-serine zwitterion -> ammonium + pyruvate CCCCCCCCCCCCCC(=O)N[C@@H](O)C(=O)[O-]>>CCCCCCCCCCCCCC(N)=O.[H]C(=O)C(=O)[O-]
18 17 58636 58637; 58638 LR; RL 4.3.1.17 4.3.1 10 10 9 11 unclassified_unique_ec4 MCSA_186_1_0; MCSA_186_1_1; MCSA_956_1_2; MCSA_956_1_3; MCSA_956_2_2 186; 956 4.3.1.17 11; 10 add:C~O:=,del:C~N:-,del:C~O:- Lys41; Lys57 Lys41; Lys57 Ala222; Cys303; Lys41; Asp214; Glu208; Gly212; Lys57; Ser308; Ser82 L-serine zwitterion -> pyruvate + ammonium; L-serine zwitterion -> ammonium + pyruvate CCCCCCCC/C=C\CCCCCCCC(=O)N[C@@H](O)C(=O)[O-]>>CCCCCCCC/C=C\CCCCCCCC(N)=O.[H]C(=O)C(=O)[O-]
19 18 58644 58645; 58646 LR; RL 4.3.1.17 4.3.1 10 10 9 11 unclassified_unique_ec4 MCSA_186_1_0; MCSA_186_1_1; MCSA_956_1_2; MCSA_956_1_3; MCSA_956_2_2 186; 956 4.3.1.17 11; 10 add:C~O:=,del:C~N:-,del:C~O:- Lys41; Lys57 Lys41; Lys57 Ala222; Cys303; Lys41; Asp214; Glu208; Gly212; Lys57; Ser308; Ser82 L-serine zwitterion -> pyruvate + ammonium; L-serine zwitterion -> ammonium + pyruvate CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)N[C@@H](O)C(=O)[O-]>>CC/C=C\C/C=C\C/C=C\CCCCCCCC(N)=O.[H]C(=O)C(=O)[O-]
20 19 74855 74856; 74857 LR; RL 4.3.3.2 4.3.3 1 1 10 10 unclassified_unique_ec4 MCSA_360_2_0 360 4.3.3.2 10 add:C~C:-,add:C~N:-,del:C~O:= Glu309 Glu309 Glu309 tryptaminium + (-)-secologanin -> water + 3alpha(S)-strictosidinium(1+) [NH3+]CCC1=CC=C(O)C(O)=C1.CC(=O)C(=O)[O-]>>C[C@@]1(C(=O)[O-])[NH2+]CCC2=C1C=C(O)C(O)=C2.[H]O[H]
21 20 74859 74860; 74861 LR; RL 4.3.3.2 4.3.3 1 1 10 10 unclassified_unique_ec4 MCSA_360_2_0 360 4.3.3.2 10 add:C~C:-,add:C~N:-,del:C~O:= Glu309 Glu309 Glu309 tryptaminium + (-)-secologanin -> water + 3alpha(S)-strictosidinium(1+) [NH3+]CCC1=CC=C(O)C(O)=C1.[H]C([H])=O>>OC1=CC2=C(C=C1O)C[NH2+]CC2.[H]O[H]
22 21 27994 27995; 27996 LR; RL 3.2.2.29 3.2.2 1 1 9 9 unclassified_unique_ec4 MCSA_834_2_1 834 3.2.2.29 9 add:C~O:-,del:C~N:- His151 His151 Asn140; His151 water + 2'-deoxyuridine -> uracil + 2-deoxy-D-ribofuranose O=C1NC(=O)C2=C(N1)N([C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C=N2.[H]O[H]>>OC[C@H]1OC(O)[C@H](O)[C@@H]1O.O=C1NC(=O)C2=C(NC=N2)N1
23 22 30771 30772; 30773 LR; RL 3.2.2.29 3.2.2 1 1 9 9 unclassified_unique_ec4 MCSA_834_2_1 834 3.2.2.29 9 add:C~O:-,del:C~N:- His151 His151 Asn140; His151 water + 2'-deoxyuridine -> uracil + 2-deoxy-D-ribofuranose NC1=NC2=C(N=CN2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C(=O)N1.[H]O[H]>>NC1=NC2=C(N=CN2)C(=O)N1.OC[C@H]1OC(O)[C@H](O)[C@@H]1O
24 23 31135 31136; 31137 LR; RL 3.2.2.29 3.2.2 1 1 9 9 unclassified_unique_ec4 MCSA_834_2_1 834 3.2.2.29 9 add:C~O:-,del:C~N:- His151 His151 Asn140; His151 water + 2'-deoxyuridine -> uracil + 2-deoxy-D-ribofuranose [H][C@]1(COP(=O)([O-])[O-])O[C@@]([H])(N2C=NC(C(N)=O)=C2N)[C@H](O)[C@@H]1O.O=P([O-])([O-])OP(=O)([O-])O>>NC(=O)C1=C(N)NC=N1.O=P([O-])([O-])OC[C@H]1O[C@H](OP(=O)([O-])OP(=O)([O-])[O-])[C@H](O)[C@@H]1O
25 24 49508 49509; 49510 LR; RL 4.2.1.59 4.2.1 1 1 9 9 unclassified_unique_ec4 MCSA_10_1_0 10 4.2.1.59 9 chg:C~C:->=,del:C~O:- Asp84; His70 Asp84; His70 Asp84; Cys80; Gly79; His70; Val76 (R)-3-hydroxydecanoyl-ACP -> water + 3-Decanoyl-[acyl-carrier protein] [H]P(=O)([O-])CC(O)(CC(=O)[O-])C(=O)[O-]>>O=C([O-])C/C(=C/[PH](=O)[O-])C(=O)[O-].[H]O[H]
26 25 52708 52709; 52710 LR; RL 3.2.2.29 3.2.2 1 1 9 9 unclassified_unique_ec4 MCSA_834_2_1 834 3.2.2.29 9 add:C~O:-,del:C~N:- His151 His151 Asn140; His151 water + 2'-deoxyuridine -> uracil + 2-deoxy-D-ribofuranose NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)C(=O)N1.[H]O[H]>>NC1=NC2=C(N=CN2)C(=O)N1.O=P([O-])([O-])OC[C@H]1OC(O)[C@H](O)[C@@H]1O
27 26 55020 55021; 55022 LR; RL 3.2.2.29 3.2.2 1 1 9 9 unclassified_unique_ec4 MCSA_834_2_1 834 3.2.2.29 9 add:C~O:-,del:C~N:- His151 His151 Asn140; His151 water + 2'-deoxyuridine -> uracil + 2-deoxy-D-ribofuranose NC1=C(N[C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)NC(=O)NC1=O.[H]O[H]>>NC1=C(N)C(=O)NC(=O)N1.O=P([O-])([O-])OC[C@H]1OC(O)[C@H](O)[C@@H]1O
28 27 57816 57817; 57818 LR; RL 3.2.2.29 3.2.2 1 1 9 9 unclassified_unique_ec4 MCSA_834_2_1 834 3.2.2.29 9 add:C~O:-,del:C~N:- His151 His151 Asn140; His151 water + 2'-deoxyuridine -> uracil + 2-deoxy-D-ribofuranose NC1=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](COP(=O)([O-])[O-])O2)C(=O)N1.[H]O[H]>>O=P([O-])([O-])OC[C@H]1OC(O)C[C@@H]1O.NC1=NC2=C(N=CN2)C(=O)N1
29 28 75387 75388; 75389 LR; RL 3.2.2.29 3.2.2 1 1 9 9 unclassified_unique_ec4 MCSA_834_2_1 834 3.2.2.29 9 add:C~O:-,del:C~N:- His151 His151 Asn140; His151 water + 2'-deoxyuridine -> uracil + 2-deoxy-D-ribofuranose NC1=NC2=C(C(=O)N1)C(CN[C@H]1C=C[C@H](O)[C@@H]1O)=CN2[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O.[H]O[H]>>NC1=NC2=C(C(=O)N1)C(CN[C@H]1C=C[C@H](O)[C@@H]1O)=CN2.O=P([O-])([O-])OC[C@H]1OC(O)[C@H](O)[C@@H]1O
30 29 83619 83620; 83621 LR; RL 3.2.2.29 3.2.2 1 1 9 9 unclassified_unique_ec4 MCSA_834_2_1 834 3.2.2.29 9 add:C~O:-,del:C~N:- His151 His151 Asn140; His151 water + 2'-deoxyuridine -> uracil + 2-deoxy-D-ribofuranose *O[C@H]1C[C@H](N2C=NC3=C2N=C2NC=CN2C3=O)O[C@@H]1COP(*)(=O)[O-].[H]O[H]>>O=C1C2=C(N=C3NC=CN13)NC=N2.*O[C@H]1CC(O)O[C@@H]1COP(*)(=O)[O-]
31 30 83623 83624; 83625 LR; RL 3.2.2.29 3.2.2 1 1 9 9 unclassified_unique_ec4 MCSA_834_2_1 834 3.2.2.29 9 add:C~O:-,del:C~N:- His151 His151 Asn140; His151 water + 2'-deoxyuridine -> uracil + 2-deoxy-D-ribofuranose *O[C@H]1C[C@H](N2C=NC3=C2N2C=CN=C2NC3=O)O[C@@H]1COP(*)(=O)[O-].[H]O[H]>>O=C1N/C2=N/C=C\N2C2=C1N=CN2.*O[C@H]1CC(O)O[C@@H]1COP(*)(=O)[O-]
32 31 28430 28431; 28432 LR; RL 5.3.1.1 5.3.1 4 2 9 9 unclassified_unique_ec4 MCSA_324_1_0; MCSA_324_2_0 324 5.3.1.1 9 chg:C~O:->=,chg:C~O:=>- Glu165; His95; Glu97; Lys13 Glu165; His95; Glu97; Lys13 Asn11; Glu165; Glu97; Gly171; His95; Lys13; Ser211 glycerone phosphate(2-) -> D-glyceraldehyde 3-phosphate(2-) [H]C(=O)[C@H](O)[C@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-]>>O=C(CO)[C@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-]
33 32 53180 53181; 53182 LR; RL 5.3.1.1 5.3.1 4 2 9 9 unclassified_unique_ec4 MCSA_324_1_0; MCSA_324_2_0 324 5.3.1.1 9 chg:C~O:->=,chg:C~O:=>- Glu165; His95; Glu97; Lys13 Glu165; His95; Glu97; Lys13 Asn11; Glu165; Glu97; Gly171; His95; Lys13; Ser211 glycerone phosphate(2-) -> D-glyceraldehyde 3-phosphate(2-) O=C[C@H](O)[C@H](O)CO>>O=C(CO)[C@H](O)CO
34 33 53280 53281; 53282 LR; RL 5.3.1.1 5.3.1 4 2 9 9 unclassified_unique_ec4 MCSA_324_1_0; MCSA_324_2_0 324 5.3.1.1 9 chg:C~O:->=,chg:C~O:=>- Glu165; His95; Glu97; Lys13 Glu165; His95; Glu97; Lys13 Asn11; Glu165; Glu97; Gly171; His95; Lys13; Ser211 glycerone phosphate(2-) -> D-glyceraldehyde 3-phosphate(2-) [H]C(=O)[C@@H](O)[C@H](O)CO>>O=C(CO)[C@H](O)CO
35 34 24935 24936; 24937 LR; RL 3.2.2.1 3.2.2 1 1 8 8 unclassified_unique_ec4 MCSA_39_1_0 39 3.2.2.1 8 add:C~O:-,chg:C~N:->=,chg:C~N:=>-,del:C~N:- Asn39; Asp10; Asp15; Asp242; His241; Thr126 Asn39; Asp10; Asp15; Asp242; His241; Thr126 Asn168; Asn39; Asp10; Asp15; Asp242; His241; Phe167; Thr126 nebularine + water -> 7H-purine + D-ribofuranose O=C1CN=CN1.[H]O[H]>>[NH2+]=CNCC(=O)[O-]
36 35 25452 25453; 25454 LR; RL 2.5.1.10 2.5.1 1 1 8 8 unclassified_unique_ec4 MCSA_253_1_0 253 2.5.1.10 8 add:C~C:-,chg:C~C:->=,chg:C~C:=>-,del:C~O:- Asp117; Asp121; Asp257 Asp117; Asp121; Asp257 Arg126; Asp117; Asp121; Asp188; Asp257; Asp258; Lys214; Lys71; Phe112; Phe253 isopentenyl diphosphate(3-) + geranyl diphosphate(3-) -> diphosphate(3-) + 2-trans,6-trans-farnesyl diphosphate(3-) CC(C)=CCC/C(C)=C/CC/C(C)=C/COP(=O)([O-])OP(=O)([O-])[O-]>>C=C(C)C1C/C=C(\C)CC/C=C(\C)CC1.O=P([O-])([O-])OP(=O)([O-])O
37 36 27866 27867; 27868 LR; RL 3.2.1.114 3.2.1 1 1 8 8 unclassified_unique_ec4 MCSA_793_1_0 793 3.2.1.114 8 add:C~O:-,add:C~O:-,del:C~O:-,del:C~O:- Asp204; Asp341; Asp92; His471; His90 Asp204; Asp341; Asp92; His471; His90 Asp204; Asp341; Asp92; His471; His90 alpha-D-Manp-(1->3)-alpha-D-Manp-(1->2)-alpha-D-Manp + 2 water -> alpha-D-mannose + 2 alpha-D-mannose O=P([O-])([O-])OC[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O.O=C([O-])[C@H](O)CO>>O=C([O-])[C@@H](CO)O[C@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H](O)[C@@H]1O.[H]O[H]
38 37 31279 31280; 31281 LR; RL 2.5.1.10 2.5.1 1 1 8 8 unclassified_unique_ec4 MCSA_253_1_0 253 2.5.1.10 8 add:C~C:-,chg:C~C:->=,chg:C~C:=>-,del:C~O:- Asp117; Asp121; Asp257 Asp117; Asp121; Asp257 Arg126; Asp117; Asp121; Asp188; Asp257; Asp258; Lys214; Lys71; Phe112; Phe253 isopentenyl diphosphate(3-) + geranyl diphosphate(3-) -> diphosphate(3-) + 2-trans,6-trans-farnesyl diphosphate(3-) C=C(C)CCOP(=O)([O-])OP(=O)([O-])[O-].CC(C)=CCC/C(C)=C/CC/C(C)=C/COP(=O)([O-])OP(=O)([O-])[O-]>>CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C\COP(=O)([O-])OP(=O)([O-])[O-].O=P([O-])([O-])OP(=O)([O-])O
39 38 32975 32976; 32977 LR; RL 3.2.1.114 3.2.1 1 1 8 8 unclassified_unique_ec4 MCSA_793_1_0 793 3.2.1.114 8 add:C~O:-,add:C~O:-,del:C~O:-,del:C~O:- Asp204; Asp341; Asp92; His471; His90 Asp204; Asp341; Asp92; His471; His90 Asp204; Asp341; Asp92; His471; His90 alpha-D-Manp-(1->3)-alpha-D-Manp-(1->2)-alpha-D-Manp + 2 water -> alpha-D-mannose + 2 alpha-D-mannose *C(=O)OC[C@H](COP(=O)([O-])OC[C@H]([NH3+])C(=O)[O-])OC(*)=O.[H]O[H].[H]O[H]>>[NH3+][C@@H](COP(=O)([O-])OC[C@H](O)CO)C(=O)[O-].[1*]C(=O)[O-].[1*]C(=O)[O-].[H+].[H+]
40 39 32983 32984; 32985 LR; RL 3.2.1.114 3.2.1 1 1 8 8 unclassified_unique_ec4 MCSA_793_1_0 793 3.2.1.114 8 add:C~O:-,add:C~O:-,del:C~O:-,del:C~O:- Asp204; Asp341; Asp92; His471; His90 Asp204; Asp341; Asp92; His471; His90 Asp204; Asp341; Asp92; His471; His90 alpha-D-Manp-(1->3)-alpha-D-Manp-(1->2)-alpha-D-Manp + 2 water -> alpha-D-mannose + 2 alpha-D-mannose *C(=O)OC[C@H](COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O)OC(*)=O.[H]O[H].[H]O[H]>>O=P([O-])(OC[C@H](O)CO)O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O.[1*]C(=O)[O-].[1*]C(=O)[O-].[H+].[H+]
41 40 64572 64573; 64574 LR; RL 2.5.1.10 2.5.1 1 1 8 8 unclassified_unique_ec4 MCSA_253_1_0 253 2.5.1.10 8 add:C~C:-,chg:C~C:->=,chg:C~C:=>-,del:C~O:- Asp117; Asp121; Asp257 Asp117; Asp121; Asp257 Arg126; Asp117; Asp121; Asp188; Asp257; Asp258; Lys214; Lys71; Phe112; Phe253 isopentenyl diphosphate(3-) + geranyl diphosphate(3-) -> diphosphate(3-) + 2-trans,6-trans-farnesyl diphosphate(3-) CC(C)=CCC/C(C)=C\COP(=O)([O-])OP(=O)([O-])[O-].C=C(C)CCOP(=O)([O-])OP(=O)([O-])[O-]>>CC(C)=CCC/C(C)=C\CC/C(C)=C\COP(=O)([O-])OP(=O)([O-])[O-].O=P([O-])([O-])OP(=O)([O-])O
42 41 64580 64581; 64582 LR; RL 2.5.1.10 2.5.1 1 1 8 8 unclassified_unique_ec4 MCSA_253_1_0 253 2.5.1.10 8 add:C~C:-,chg:C~C:->=,chg:C~C:=>-,del:C~O:- Asp117; Asp121; Asp257 Asp117; Asp121; Asp257 Arg126; Asp117; Asp121; Asp188; Asp257; Asp258; Lys214; Lys71; Phe112; Phe253 isopentenyl diphosphate(3-) + geranyl diphosphate(3-) -> diphosphate(3-) + 2-trans,6-trans-farnesyl diphosphate(3-) CC(C)=CCC/C(C)=C\CC/C(C)=C\COP(=O)([O-])OP(=O)([O-])[O-].C=C(C)CCOP(=O)([O-])OP(=O)([O-])[O-]>>CC(C)=CCC/C(C)=C\CC/C(C)=C\CC/C(C)=C\COP(=O)([O-])OP(=O)([O-])[O-].O=P([O-])([O-])OP(=O)([O-])O
43 42 68472 68473; 68474 LR; RL 2.5.1.10 2.5.1 1 1 8 8 unclassified_unique_ec4 MCSA_253_1_0 253 2.5.1.10 8 add:C~C:-,chg:C~C:->=,chg:C~C:=>-,del:C~O:- Asp117; Asp121; Asp257 Asp117; Asp121; Asp257 Arg126; Asp117; Asp121; Asp188; Asp257; Asp258; Lys214; Lys71; Phe112; Phe253 isopentenyl diphosphate(3-) + geranyl diphosphate(3-) -> diphosphate(3-) + 2-trans,6-trans-farnesyl diphosphate(3-) CC(C)=CCC/C(C)=C\CC/C(C)=C\COP(=O)([O-])OP(=O)([O-])[O-]>>CC(C)=CC/C=C(\C)C1CC=C(C)CC1.O=P([O-])([O-])OP(=O)([O-])O
44 43 68524 68525; 68526 LR; RL 2.5.1.10 2.5.1 1 1 8 8 unclassified_unique_ec4 MCSA_253_1_0 253 2.5.1.10 8 add:C~C:-,chg:C~C:->=,chg:C~C:=>-,del:C~O:- Asp117; Asp121; Asp257 Asp117; Asp121; Asp257 Arg126; Asp117; Asp121; Asp188; Asp257; Asp258; Lys214; Lys71; Phe112; Phe253 isopentenyl diphosphate(3-) + geranyl diphosphate(3-) -> diphosphate(3-) + 2-trans,6-trans-farnesyl diphosphate(3-) CC(C)=CCC/C(C)=C\CC/C(C)=C\COP(=O)([O-])OP(=O)([O-])[O-]>>C=C(CCC=C(C)C)C1CC=C(C)CC1.O=P([O-])([O-])OP(=O)([O-])O
45 44 68528 68529; 68530 LR; RL 2.5.1.10 2.5.1 1 1 8 8 unclassified_unique_ec4 MCSA_253_1_0 253 2.5.1.10 8 add:C~C:-,chg:C~C:->=,chg:C~C:=>-,del:C~O:- Asp117; Asp121; Asp257 Asp117; Asp121; Asp257 Arg126; Asp117; Asp121; Asp188; Asp257; Asp258; Lys214; Lys71; Phe112; Phe253 isopentenyl diphosphate(3-) + geranyl diphosphate(3-) -> diphosphate(3-) + 2-trans,6-trans-farnesyl diphosphate(3-) CC(C)=CCC/C(C)=C/CC/C(C)=C/COP(=O)([O-])OP(=O)([O-])[O-]>>C=C(CCC=C(C)C)C1CC=C(C)CC1.O=P([O-])([O-])OP(=O)([O-])O
46 45 68532 68533; 68534 LR; RL 2.5.1.10 2.5.1 1 1 8 8 unclassified_unique_ec4 MCSA_253_1_0 253 2.5.1.10 8 add:C~C:-,chg:C~C:->=,chg:C~C:=>-,del:C~O:- Asp117; Asp121; Asp257 Asp117; Asp121; Asp257 Arg126; Asp117; Asp121; Asp188; Asp257; Asp258; Lys214; Lys71; Phe112; Phe253 isopentenyl diphosphate(3-) + geranyl diphosphate(3-) -> diphosphate(3-) + 2-trans,6-trans-farnesyl diphosphate(3-) CC(C)=CCC/C(C)=C/CC/C(C)=C/COP(=O)([O-])OP(=O)([O-])[O-]>>CC(C)=CC/C=C(/C)C1CC=C(C)CC1.O=P([O-])([O-])OP(=O)([O-])O
47 46 68640 68641; 68642 LR; RL 2.5.1.10 2.5.1 1 1 8 8 unclassified_unique_ec4 MCSA_253_1_0 253 2.5.1.10 8 add:C~C:-,chg:C~C:->=,chg:C~C:=>-,del:C~O:- Asp117; Asp121; Asp257 Asp117; Asp121; Asp257 Arg126; Asp117; Asp121; Asp188; Asp257; Asp258; Lys214; Lys71; Phe112; Phe253 isopentenyl diphosphate(3-) + geranyl diphosphate(3-) -> diphosphate(3-) + 2-trans,6-trans-farnesyl diphosphate(3-) CC(C)=CCC/C(C)=C/COP(=O)([O-])OP(=O)([O-])[O-]>>C=C(C)C1CC=C(C)CC1.O=P([O-])([O-])OP(=O)([O-])O
48 47 68776 68777; 68778 LR; RL 2.5.1.10 2.5.1 1 1 8 8 unclassified_unique_ec4 MCSA_253_1_0 253 2.5.1.10 8 add:C~C:-,chg:C~C:->=,chg:C~C:=>-,del:C~O:- Asp117; Asp121; Asp257 Asp117; Asp121; Asp257 Arg126; Asp117; Asp121; Asp188; Asp257; Asp258; Lys214; Lys71; Phe112; Phe253 isopentenyl diphosphate(3-) + geranyl diphosphate(3-) -> diphosphate(3-) + 2-trans,6-trans-farnesyl diphosphate(3-) CC(C)=CCC/C(C)=C\CC/C(C)=C\COP(=O)([O-])OP(=O)([O-])[O-]>>C=C(C)C1C/C=C(\C)CC/C=C(\C)CC1.O=P([O-])([O-])OP(=O)([O-])O
49 48 68780 68781; 68782 LR; RL 2.5.1.10 2.5.1 1 1 8 8 unclassified_unique_ec4 MCSA_253_1_0 253 2.5.1.10 8 add:C~C:-,chg:C~C:->=,chg:C~C:=>-,del:C~O:- Asp117; Asp121; Asp257 Asp117; Asp121; Asp257 Arg126; Asp117; Asp121; Asp188; Asp257; Asp258; Lys214; Lys71; Phe112; Phe253 isopentenyl diphosphate(3-) + geranyl diphosphate(3-) -> diphosphate(3-) + 2-trans,6-trans-farnesyl diphosphate(3-) CC(C)=CCC/C(C)=C\CC/C(C)=C\COP(=O)([O-])OP(=O)([O-])[O-]>>C/C1=C\CC/C(C)=C/CC(C)(C)/C=C/C1.O=P([O-])([O-])OP(=O)([O-])O
50 49 68812 68813; 68814 LR; RL 2.5.1.10 2.5.1 1 1 8 8 unclassified_unique_ec4 MCSA_253_1_0 253 2.5.1.10 8 add:C~C:-,chg:C~C:->=,chg:C~C:=>-,del:C~O:- Asp117; Asp121; Asp257 Asp117; Asp121; Asp257 Arg126; Asp117; Asp121; Asp188; Asp257; Asp258; Lys214; Lys71; Phe112; Phe253 isopentenyl diphosphate(3-) + geranyl diphosphate(3-) -> diphosphate(3-) + 2-trans,6-trans-farnesyl diphosphate(3-) CC(C)=CCC/C(C)=C/CC/C(C)=C\COP(=O)([O-])OP(=O)([O-])[O-]>>C=C(CCC=C(C)C)C1CC=C(C)CC1.O=P([O-])([O-])OP(=O)([O-])O
51 50 68816 68817; 68818 LR; RL 2.5.1.10 2.5.1 1 1 8 8 unclassified_unique_ec4 MCSA_253_1_0 253 2.5.1.10 8 add:C~C:-,chg:C~C:->=,chg:C~C:=>-,del:C~O:- Asp117; Asp121; Asp257 Asp117; Asp121; Asp257 Arg126; Asp117; Asp121; Asp188; Asp257; Asp258; Lys214; Lys71; Phe112; Phe253 isopentenyl diphosphate(3-) + geranyl diphosphate(3-) -> diphosphate(3-) + 2-trans,6-trans-farnesyl diphosphate(3-) CC(C)=CCC/C(C)=C/CC/C(C)=C\COP(=O)([O-])OP(=O)([O-])[O-]>>CC(C)=CC/C=C(\C)C1CC=C(C)CC1.O=P([O-])([O-])OP(=O)([O-])O
52 51 68844 68845; 68846 LR; RL 2.5.1.10 2.5.1 1 1 8 8 unclassified_unique_ec4 MCSA_253_1_0 253 2.5.1.10 8 add:C~C:-,chg:C~C:->=,chg:C~C:=>-,del:C~O:- Asp117; Asp121; Asp257 Asp117; Asp121; Asp257 Arg126; Asp117; Asp121; Asp188; Asp257; Asp258; Lys214; Lys71; Phe112; Phe253 isopentenyl diphosphate(3-) + geranyl diphosphate(3-) -> diphosphate(3-) + 2-trans,6-trans-farnesyl diphosphate(3-) CC(C)=CCC/C(C)=C/CC/C(C)=C\COP(=O)([O-])OP(=O)([O-])[O-]>>CC(C)=CC/C=C(/C)C1CC=C(C)CC1.O=P([O-])([O-])OP(=O)([O-])O
53 52 77003 77004; 77005 LR; RL 3.2.2.1 3.2.2 1 1 8 8 unclassified_unique_ec4 MCSA_39_1_0 39 3.2.2.1 8 add:C~O:-,chg:C~N:->=,chg:C~N:=>-,del:C~N:- Asn39; Asp10; Asp15; Asp242; His241; Thr126 Asn39; Asp10; Asp15; Asp242; His241; Thr126 Asn168; Asn39; Asp10; Asp15; Asp242; His241; Phe167; Thr126 nebularine + water -> 7H-purine + D-ribofuranose [H][C@@]1(C[C@H]([NH3+])C(=O)[O-])CNC(=[NH2+])N1.[H]O[H]>>NC(=[NH2+])NC[C@@H](O)C[C@H]([NH3+])C(=O)[O-]
54 53 80875 80876; 80877 LR; RL 2.5.1.10 2.5.1 1 1 8 8 unclassified_unique_ec4 MCSA_253_1_0 253 2.5.1.10 8 add:C~C:-,chg:C~C:->=,chg:C~C:=>-,del:C~O:- Asp117; Asp121; Asp257 Asp117; Asp121; Asp257 Arg126; Asp117; Asp121; Asp188; Asp257; Asp258; Lys214; Lys71; Phe112; Phe253 isopentenyl diphosphate(3-) + geranyl diphosphate(3-) -> diphosphate(3-) + 2-trans,6-trans-farnesyl diphosphate(3-) CC1=CC(O)=C(C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC[C@@H]2OC2(C)C)C(=O)O1>>[H][C@@]1(CC/C(C)=C/CC/C(C)=C/CC2=C(O)C=C(C)OC2=O)C(=C)CC[C@H](O)C1(C)C
55 54 84027 84028; 84029 LR; RL 3.2.2.1 3.2.2 1 1 8 8 unclassified_unique_ec4 MCSA_39_1_0 39 3.2.2.1 8 add:C~O:-,chg:C~N:->=,chg:C~N:=>-,del:C~N:- Asn39; Asp10; Asp15; Asp242; His241; Thr126 Asn39; Asp10; Asp15; Asp242; His241; Thr126 Asn168; Asn39; Asp10; Asp15; Asp242; His241; Phe167; Thr126 nebularine + water -> 7H-purine + D-ribofuranose CN1C=NC(CCC(=O)[O-])C1=O.[H]O[H]>>[H]/C(N[C@@H](CCC(=O)[O-])C(=O)[O-])=[NH+]\C
56 55 84295 84296; 84297 LR; RL 3.2.1.114 3.2.1 1 1 8 8 unclassified_unique_ec4 MCSA_793_1_0 793 3.2.1.114 8 add:C~O:-,add:C~O:-,del:C~O:-,del:C~O:- Asp204; Asp341; Asp92; His471; His90 Asp204; Asp341; Asp92; His471; His90 Asp204; Asp341; Asp92; His471; His90 alpha-D-Manp-(1->3)-alpha-D-Manp-(1->2)-alpha-D-Manp + 2 water -> alpha-D-mannose + 2 alpha-D-mannose CC(C)=CCC/C(C)=C/COP(=O)([O-])OP(=O)([O-])[O-].NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O>>CC(C)=CCC/C(C)=C/COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-].NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O
57 56 84299 84300; 84301 LR; RL 3.2.1.114 3.2.1 1 1 8 8 unclassified_unique_ec4 MCSA_793_1_0 793 3.2.1.114 8 add:C~O:-,add:C~O:-,del:C~O:-,del:C~O:- Asp204; Asp341; Asp92; His471; His90 Asp204; Asp341; Asp92; His471; His90 Asp204; Asp341; Asp92; His471; His90 alpha-D-Manp-(1->3)-alpha-D-Manp-(1->2)-alpha-D-Manp + 2 water -> alpha-D-mannose + 2 alpha-D-mannose CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-].NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O>>CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-].NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O
58 57 28510 28511; 28512 LR; RL 3.2.1.114 3.2.1 2 1 8 8 unclassified_unique_ec4 MCSA_793_1_0 793 3.2.1.114 8 add:C~O:-,add:C~O:-,del:C~O:-,del:C~O:- Asp204; Asp341; Asp92; His471; His90 Asp204; Asp341; Asp92; His471; His90 Asp204; Asp341; Asp92; His471; His90 alpha-D-Manp-(1->3)-alpha-D-Manp-(1->2)-alpha-D-Manp + 2 water -> alpha-D-mannose + 2 alpha-D-mannose O=P([O-])([O-])OC[C@H]1O[C@@H](OC2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O.[H]O[H]>>O=P([O-])([O-])OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O.OC1=CC=C(O)C=C1
59 58 32907 32908; 32909 LR; RL 3.2.1.114 3.2.1 2 1 8 8 unclassified_unique_ec4 MCSA_793_1_0 793 3.2.1.114 8 add:C~O:-,add:C~O:-,del:C~O:-,del:C~O:- Asp204; Asp341; Asp92; His471; His90 Asp204; Asp341; Asp92; His471; His90 Asp204; Asp341; Asp92; His471; His90 alpha-D-Manp-(1->3)-alpha-D-Manp-(1->2)-alpha-D-Manp + 2 water -> alpha-D-mannose + 2 alpha-D-mannose [1*]C(=O)OC[C@]([H])(COP(=O)([O-])OCC[N+](C)(C)C)OC([2*])=O.[H]O[H].[H]O[H]>>C[N+](C)(C)CCOP(=O)([O-])OC[C@H](O)CO.[1*]C(=O)[O-].[1*]C(=O)[O-].[H+].[H+]
60 59 32971 32972; 32973 LR; RL 3.2.1.114 3.2.1 2 1 8 8 unclassified_unique_ec4 MCSA_793_1_0 793 3.2.1.114 8 add:C~O:-,add:C~O:-,del:C~O:-,del:C~O:- Asp204; Asp341; Asp92; His471; His90 Asp204; Asp341; Asp92; His471; His90 Asp204; Asp341; Asp92; His471; His90 alpha-D-Manp-(1->3)-alpha-D-Manp-(1->2)-alpha-D-Manp + 2 water -> alpha-D-mannose + 2 alpha-D-mannose [1*]C(=O)OC[C@H](COP(=O)([O-])OCC[NH3+])OC([2*])=O.[H]O[H].[H]O[H]>>[NH3+]CCOP(=O)([O-])OC[C@H](O)CO.[1*]C(=O)[O-].[1*]C(=O)[O-].[H+].[H+]
61 60 33127 33128; 33129 LR; RL 3.2.1.114 3.2.1 2 1 8 8 unclassified_unique_ec4 MCSA_793_1_0 793 3.2.1.114 8 add:C~O:-,add:C~O:-,del:C~O:-,del:C~O:- Asp204; Asp341; Asp92; His471; His90 Asp204; Asp341; Asp92; His471; His90 Asp204; Asp341; Asp92; His471; His90 alpha-D-Manp-(1->3)-alpha-D-Manp-(1->2)-alpha-D-Manp + 2 water -> alpha-D-mannose + 2 alpha-D-mannose O=P([O-])([O-])OC[C@H]1O[C@@H](OC2=CC=CC=C2CO)[C@H](O)[C@@H](O)[C@@H]1O.[H]O[H]>>OCC1=CC=CC=C1O.O=P([O-])([O-])OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
62 61 40659 40660; 40661 LR; RL 3.2.1.114 3.2.1 2 1 8 8 unclassified_unique_ec4 MCSA_793_1_0 793 3.2.1.114 8 add:C~O:-,add:C~O:-,del:C~O:-,del:C~O:- Asp204; Asp341; Asp92; His471; His90 Asp204; Asp341; Asp92; His471; His90 Asp204; Asp341; Asp92; His471; His90 alpha-D-Manp-(1->3)-alpha-D-Manp-(1->2)-alpha-D-Manp + 2 water -> alpha-D-mannose + 2 alpha-D-mannose CCCCCCCCCCCCCCCCO.CCCCCCCCCCCCCCCC(=O)OCC(=O)COP(=O)([O-])[O-]>>CCCCCCCCCCCCCCCCOCC(=O)COP(=O)([O-])[O-].CCCCCCCCCCCCCCCC(=O)[O-].[H+]
63 62 40679 40680; 40681 LR; RL 3.2.1.114 3.2.1 2 1 8 8 unclassified_unique_ec4 MCSA_793_1_0 793 3.2.1.114 8 add:C~O:-,add:C~O:-,del:C~O:-,del:C~O:- Asp204; Asp341; Asp92; His471; His90 Asp204; Asp341; Asp92; His471; His90 Asp204; Asp341; Asp92; His471; His90 alpha-D-Manp-(1->3)-alpha-D-Manp-(1->2)-alpha-D-Manp + 2 water -> alpha-D-mannose + 2 alpha-D-mannose CCCCCCCC/C=C\CCCCCCCCO.CCCCCCCCCCCCCCCC(=O)OCC(=O)COP(=O)([O-])[O-]>>CCCCCCCC/C=C\CCCCCCCCOCC(=O)COP(=O)([O-])[O-].CCCCCCCCCCCCCCCC(=O)[O-].[H+]
64 63 40683 40684; 40685 LR; RL 3.2.1.114 3.2.1 2 1 8 8 unclassified_unique_ec4 MCSA_793_1_0 793 3.2.1.114 8 add:C~O:-,add:C~O:-,del:C~O:-,del:C~O:- Asp204; Asp341; Asp92; His471; His90 Asp204; Asp341; Asp92; His471; His90 Asp204; Asp341; Asp92; His471; His90 alpha-D-Manp-(1->3)-alpha-D-Manp-(1->2)-alpha-D-Manp + 2 water -> alpha-D-mannose + 2 alpha-D-mannose CCCCCCCCCCCCO.CCCCCCCCCCCCCCCC(=O)OCC(=O)COP(=O)([O-])[O-]>>CCCCCCCCCCCCOCC(=O)COP(=O)([O-])[O-].CCCCCCCCCCCCCCCC(=O)[O-].[H+]
65 64 40687 40688; 40689 LR; RL 3.2.1.114 3.2.1 2 1 8 8 unclassified_unique_ec4 MCSA_793_1_0 793 3.2.1.114 8 add:C~O:-,add:C~O:-,del:C~O:-,del:C~O:- Asp204; Asp341; Asp92; His471; His90 Asp204; Asp341; Asp92; His471; His90 Asp204; Asp341; Asp92; His471; His90 alpha-D-Manp-(1->3)-alpha-D-Manp-(1->2)-alpha-D-Manp + 2 water -> alpha-D-mannose + 2 alpha-D-mannose CCCCCCCCCCCCCCO.CCCCCCCCCCCCCCCC(=O)OCC(=O)COP(=O)([O-])[O-]>>CCCCCCCCCCCCCCOCC(=O)COP(=O)([O-])[O-].CCCCCCCCCCCCCCCC(=O)[O-].[H+]
66 65 40691 40692; 40693 LR; RL 3.2.1.114 3.2.1 2 1 8 8 unclassified_unique_ec4 MCSA_793_1_0 793 3.2.1.114 8 add:C~O:-,add:C~O:-,del:C~O:-,del:C~O:- Asp204; Asp341; Asp92; His471; His90 Asp204; Asp341; Asp92; His471; His90 Asp204; Asp341; Asp92; His471; His90 alpha-D-Manp-(1->3)-alpha-D-Manp-(1->2)-alpha-D-Manp + 2 water -> alpha-D-mannose + 2 alpha-D-mannose CCCCCCCCCCCCCCCO.CCCCCCCCCCCCCCCC(=O)OCC(=O)COP(=O)([O-])[O-]>>CCCCCCCCCCCCCCCOCC(=O)COP(=O)([O-])[O-].CCCCCCCCCCCCCCCC(=O)[O-].[H+]
67 66 40695 40696; 40697 LR; RL 3.2.1.114 3.2.1 2 1 8 8 unclassified_unique_ec4 MCSA_793_1_0 793 3.2.1.114 8 add:C~O:-,add:C~O:-,del:C~O:-,del:C~O:- Asp204; Asp341; Asp92; His471; His90 Asp204; Asp341; Asp92; His471; His90 Asp204; Asp341; Asp92; His471; His90 alpha-D-Manp-(1->3)-alpha-D-Manp-(1->2)-alpha-D-Manp + 2 water -> alpha-D-mannose + 2 alpha-D-mannose CCCCCCCCCCCCCCCCCO.CCCCCCCCCCCCCCCC(=O)OCC(=O)COP(=O)([O-])[O-]>>CCCCCCCCCCCCCCCCCOCC(=O)COP(=O)([O-])[O-].CCCCCCCCCCCCCCCC(=O)[O-].[H+]
68 67 40699 40700; 40701 LR; RL 3.2.1.114 3.2.1 2 1 8 8 unclassified_unique_ec4 MCSA_793_1_0 793 3.2.1.114 8 add:C~O:-,add:C~O:-,del:C~O:-,del:C~O:- Asp204; Asp341; Asp92; His471; His90 Asp204; Asp341; Asp92; His471; His90 Asp204; Asp341; Asp92; His471; His90 alpha-D-Manp-(1->3)-alpha-D-Manp-(1->2)-alpha-D-Manp + 2 water -> alpha-D-mannose + 2 alpha-D-mannose CCCCCCCCCCCCCCCCCCO.CCCCCCCCCCCCCCCC(=O)OCC(=O)COP(=O)([O-])[O-]>>CCCCCCCCCCCCCCCCCCOCC(=O)COP(=O)([O-])[O-].CCCCCCCCCCCCCCCC(=O)[O-].[H+]
69 68 40703 40704; 40705 LR; RL 3.2.1.114 3.2.1 2 1 8 8 unclassified_unique_ec4 MCSA_793_1_0 793 3.2.1.114 8 add:C~O:-,add:C~O:-,del:C~O:-,del:C~O:- Asp204; Asp341; Asp92; His471; His90 Asp204; Asp341; Asp92; His471; His90 Asp204; Asp341; Asp92; His471; His90 alpha-D-Manp-(1->3)-alpha-D-Manp-(1->2)-alpha-D-Manp + 2 water -> alpha-D-mannose + 2 alpha-D-mannose CCCCC/C=C\C/C=C\CCCCCCCCO.CCCCCCCCCCCCCCCC(=O)OCC(=O)COP(=O)([O-])[O-]>>CCCCC/C=C\C/C=C\CCCCCCCCOCC(=O)COP(=O)([O-])[O-].CCCCCCCCCCCCCCCC(=O)[O-].[H+]
70 69 40707 40708; 40709 LR; RL 3.2.1.114 3.2.1 2 1 8 8 unclassified_unique_ec4 MCSA_793_1_0 793 3.2.1.114 8 add:C~O:-,add:C~O:-,del:C~O:-,del:C~O:- Asp204; Asp341; Asp92; His471; His90 Asp204; Asp341; Asp92; His471; His90 Asp204; Asp341; Asp92; His471; His90 alpha-D-Manp-(1->3)-alpha-D-Manp-(1->2)-alpha-D-Manp + 2 water -> alpha-D-mannose + 2 alpha-D-mannose CC/C=C\C/C=C\C/C=C\CCCCCCCCO.CCCCCCCCCCCCCCCC(=O)OCC(=O)COP(=O)([O-])[O-]>>CC/C=C\C/C=C\C/C=C\CCCCCCCCOCC(=O)COP(=O)([O-])[O-].CCCCCCCCCCCCCCCC(=O)[O-].[H+]
71 70 40711 40712; 40713 LR; RL 3.2.1.114 3.2.1 2 1 8 8 unclassified_unique_ec4 MCSA_793_1_0 793 3.2.1.114 8 add:C~O:-,add:C~O:-,del:C~O:-,del:C~O:- Asp204; Asp341; Asp92; His471; His90 Asp204; Asp341; Asp92; His471; His90 Asp204; Asp341; Asp92; His471; His90 alpha-D-Manp-(1->3)-alpha-D-Manp-(1->2)-alpha-D-Manp + 2 water -> alpha-D-mannose + 2 alpha-D-mannose CCCCCCCCCCCCCCCCCC(=O)OCC(=O)COP(=O)([O-])[O-].CCCCCCCCCCCCCCCCO>>CCCCCCCCCCCCCCCCOCC(=O)COP(=O)([O-])[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[H+]
72 71 40727 40728; 40729 LR; RL 3.2.1.114 3.2.1 2 1 8 8 unclassified_unique_ec4 MCSA_793_1_0 793 3.2.1.114 8 add:C~O:-,add:C~O:-,del:C~O:-,del:C~O:- Asp204; Asp341; Asp92; His471; His90 Asp204; Asp341; Asp92; His471; His90 Asp204; Asp341; Asp92; His471; His90 alpha-D-Manp-(1->3)-alpha-D-Manp-(1->2)-alpha-D-Manp + 2 water -> alpha-D-mannose + 2 alpha-D-mannose CCCCCCCCCCCCCCCC(=O)OCC(=O)COP(=O)([O-])[O-].*C(=O)[O-]>>*C(=O)OCC(=O)COP(=O)([O-])[O-].CCCCCCCCCCCCCCCC(=O)[O-]
73 72 40751 40752; 40753 LR; RL 3.2.1.114 3.2.1 2 1 8 8 unclassified_unique_ec4 MCSA_793_1_0 793 3.2.1.114 8 add:C~O:-,add:C~O:-,del:C~O:-,del:C~O:- Asp204; Asp341; Asp92; His471; His90 Asp204; Asp341; Asp92; His471; His90 Asp204; Asp341; Asp92; His471; His90 alpha-D-Manp-(1->3)-alpha-D-Manp-(1->2)-alpha-D-Manp + 2 water -> alpha-D-mannose + 2 alpha-D-mannose CCCCCCCCCCCCCCCC(=O)OCC(=O)COP(=O)([O-])[O-].CCCCCCCC/C=C\CCCCCCCC(=O)[O-]>>CCCCCCCC/C=C\CCCCCCCC(=O)OCC(=O)COP(=O)([O-])[O-].CCCCCCCCCCCCCCCC(=O)[O-]
74 73 40755 40756; 40757 LR; RL 3.2.1.114 3.2.1 2 1 8 8 unclassified_unique_ec4 MCSA_793_1_0 793 3.2.1.114 8 add:C~O:-,add:C~O:-,del:C~O:-,del:C~O:- Asp204; Asp341; Asp92; His471; His90 Asp204; Asp341; Asp92; His471; His90 Asp204; Asp341; Asp92; His471; His90 alpha-D-Manp-(1->3)-alpha-D-Manp-(1->2)-alpha-D-Manp + 2 water -> alpha-D-mannose + 2 alpha-D-mannose CCCCCCCCCCCCCCCC(=O)OCC(=O)COP(=O)([O-])[O-].CCCCC/C=C\C/C=C\CCCCCCCC(=O)[O-]>>CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC(=O)COP(=O)([O-])[O-].CCCCCCCCCCCCCCCC(=O)[O-]
75 74 40759 40760; 40761 LR; RL 3.2.1.114 3.2.1 2 1 8 8 unclassified_unique_ec4 MCSA_793_1_0 793 3.2.1.114 8 add:C~O:-,add:C~O:-,del:C~O:-,del:C~O:- Asp204; Asp341; Asp92; His471; His90 Asp204; Asp341; Asp92; His471; His90 Asp204; Asp341; Asp92; His471; His90 alpha-D-Manp-(1->3)-alpha-D-Manp-(1->2)-alpha-D-Manp + 2 water -> alpha-D-mannose + 2 alpha-D-mannose CCCCCCCCCCCCCCCC(=O)OCC(=O)COP(=O)([O-])[O-].CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)[O-]>>CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OCC(=O)COP(=O)([O-])[O-].CCCCCCCCCCCCCCCC(=O)[O-]
76 75 40835 40836; 40837 LR; RL 3.2.1.114 3.2.1 2 1 8 8 unclassified_unique_ec4 MCSA_793_1_0 793 3.2.1.114 8 add:C~O:-,add:C~O:-,del:C~O:-,del:C~O:- Asp204; Asp341; Asp92; His471; His90 Asp204; Asp341; Asp92; His471; His90 Asp204; Asp341; Asp92; His471; His90 alpha-D-Manp-(1->3)-alpha-D-Manp-(1->2)-alpha-D-Manp + 2 water -> alpha-D-mannose + 2 alpha-D-mannose CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCCCC.[H]O[H].[H]O[H]>>C[N+](C)(C)CCOP(=O)([O-])OC[C@H](O)CO.CCCCCCCC/C=C\CCCCCCCC(=O)[O-].CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[H+].[H+]
77 76 40935 40936; 40937 LR; RL 3.2.1.114 3.2.1 2 1 8 8 unclassified_unique_ec4 MCSA_793_1_0 793 3.2.1.114 8 add:C~O:-,add:C~O:-,del:C~O:-,del:C~O:- Asp204; Asp341; Asp92; His471; His90 Asp204; Asp341; Asp92; His471; His90 Asp204; Asp341; Asp92; His471; His90 alpha-D-Manp-(1->3)-alpha-D-Manp-(1->2)-alpha-D-Manp + 2 water -> alpha-D-mannose + 2 alpha-D-mannose *C(=O)OCC(=O)COP(=O)([O-])[O-].CCCCCCCCCCCCCCCCO>>CCCCCCCCCCCCCCCCOCC(=O)COP(=O)([O-])[O-].*C(=O)[O-].[H+]
78 77 40975 40976; 40977 LR; RL 3.2.1.114 3.2.1 2 1 8 8 unclassified_unique_ec4 MCSA_793_1_0 793 3.2.1.114 8 add:C~O:-,add:C~O:-,del:C~O:-,del:C~O:- Asp204; Asp341; Asp92; His471; His90 Asp204; Asp341; Asp92; His471; His90 Asp204; Asp341; Asp92; His471; His90 alpha-D-Manp-(1->3)-alpha-D-Manp-(1->2)-alpha-D-Manp + 2 water -> alpha-D-mannose + 2 alpha-D-mannose CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC.[H]O[H].[H]O[H]>>C[N+](C)(C)CCOP(=O)([O-])OC[C@H](O)CO.CCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC(=O)[O-].[H+].[H+]
79 78 60624 60625; 60626 LR; RL 3.2.1.114 3.2.1 2 1 8 8 unclassified_unique_ec4 MCSA_793_1_0 793 3.2.1.114 8 add:C~O:-,add:C~O:-,del:C~O:-,del:C~O:- Asp204; Asp341; Asp92; His471; His90 Asp204; Asp341; Asp92; His471; His90 Asp204; Asp341; Asp92; His471; His90 alpha-D-Manp-(1->3)-alpha-D-Manp-(1->2)-alpha-D-Manp + 2 water -> alpha-D-mannose + 2 alpha-D-mannose CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[NH3+])OC(=O)CCCCCCC/C=C\CCCCCCCC.[H]O[H].[H]O[H]>>[NH3+]CCOP(=O)([O-])OC[C@H](O)CO.CCCCCCCC/C=C\CCCCCCCC(=O)[O-].CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[H+].[H+]
80 79 68312 68313; 68314 LR; RL 3.2.1.114 3.2.1 2 1 8 8 unclassified_unique_ec4 MCSA_793_1_0 793 3.2.1.114 8 add:C~O:-,add:C~O:-,del:C~O:-,del:C~O:- Asp204; Asp341; Asp92; His471; His90 Asp204; Asp341; Asp92; His471; His90 Asp204; Asp341; Asp92; His471; His90 alpha-D-Manp-(1->3)-alpha-D-Manp-(1->2)-alpha-D-Manp + 2 water -> alpha-D-mannose + 2 alpha-D-mannose O=P([O-])([O-])O[C@@H]1[C@@H](OP(=O)([O-])[O-])[C@H](OP(=O)([O-])[O-])[C@@H](O)[C@H](OP(=O)([O-])[O-])[C@@H]1OP(=O)([O-])[O-].[H]O[H]>>O=P([O-])([O-])O[C@@H]1[C@@H](OP(=O)([O-])[O-])[C@@H](OP(=O)([O-])[O-])[C@@H](O)[C@H](O)[C@H]1OP(=O)([O-])[O-].O=P([O-])([O-])O
81 80 69671 69672; 69673 LR; RL 3.2.1.114 3.2.1 2 1 8 8 unclassified_unique_ec4 MCSA_793_1_0 793 3.2.1.114 8 add:C~O:-,add:C~O:-,del:C~O:-,del:C~O:- Asp204; Asp341; Asp92; His471; His90 Asp204; Asp341; Asp92; His471; His90 Asp204; Asp341; Asp92; His471; His90 alpha-D-Manp-(1->3)-alpha-D-Manp-(1->2)-alpha-D-Manp + 2 water -> alpha-D-mannose + 2 alpha-D-mannose O=C1C[C@@H](C2=CC=C(O)C=C2)OC2=C1C(O)=CC(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)=C2.[H]O[H]>>O=C1C[C@@H](C2=CC=C(O)C=C2)OC2=CC(O)=CC(O)=C12.OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
82 81 69675 69676; 69677 LR; RL 3.2.1.114 3.2.1 2 1 8 8 unclassified_unique_ec4 MCSA_793_1_0 793 3.2.1.114 8 add:C~O:-,add:C~O:-,del:C~O:-,del:C~O:- Asp204; Asp341; Asp92; His471; His90 Asp204; Asp341; Asp92; His471; His90 Asp204; Asp341; Asp92; His471; His90 alpha-D-Manp-(1->3)-alpha-D-Manp-(1->2)-alpha-D-Manp + 2 water -> alpha-D-mannose + 2 alpha-D-mannose O=C1C[C@@H](C2=CC(O)=C(O)C=C2)OC2=C1/C(O)=C\C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)=C/2.[H]O[H]>>O=C1C[C@@H](C2=CC=C(O)C(O)=C2)OC2=CC(O)=CC(O)=C12.OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
83 82 86031 86032; 86033 LR; RL 3.2.1.114 3.2.1 2 1 8 8 unclassified_unique_ec4 MCSA_793_1_0 793 3.2.1.114 8 add:C~O:-,add:C~O:-,del:C~O:-,del:C~O:- Asp204; Asp341; Asp92; His471; His90 Asp204; Asp341; Asp92; His471; His90 Asp204; Asp341; Asp92; His471; His90 alpha-D-Manp-(1->3)-alpha-D-Manp-(1->2)-alpha-D-Manp + 2 water -> alpha-D-mannose + 2 alpha-D-mannose O=C([O-])C1=C(C2=C(C(=O)[O-])C=C(O)C(O)=C2O)C(O)=C(O)C(O)=C1>>O=C1OC2=C(O)C([O-])=CC3=C2C2=C1C=C([O-])C(O)=C2OC3=O.[H]O[H].[H]O[H]
84 83 10480 10481; 10482 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion [NH3+][C@@H](CC(O)C(=O)[O-])C(=O)[O-].O=C([O-])CCC(=O)C(=O)[O-]>>O=C([O-])C(=O)CC(O)C(=O)[O-].[NH3+][C@@H](CCC(=O)[O-])C(=O)[O-]
85 84 19249 19250; 19251 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion NC1=CC=CC=C1C(=O)C[C@H]([NH3+])C(=O)[O-].[H]C(=O)C(=O)[O-]>>NC1=C(C(=O)CC(=O)C(=O)[O-])C=CC=C1.[NH3+]CC(=O)[O-]
86 85 20964 20965; 20966 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion NC1=CC=CC=C1C(=O)C[C@H]([NH3+])C(=O)[O-].O=C([O-])CCC(=O)C(=O)[O-]>>NC1=C(C(=O)CC(=O)C(=O)[O-])C=CC=C1.[NH3+][C@@H](CCC(=O)[O-])C(=O)[O-]
87 86 25315 25316; 25317 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion CC(=O)N[C@@H](CCC[C@H]([NH3+])C(=O)[O-])C(=O)[O-].O=C([O-])CCC(=O)C(=O)[O-]>>CC(=O)N[C@@H](CCCC(=O)C(=O)[O-])C(=O)[O-].[NH3+][C@@H](CCC(=O)[O-])C(=O)[O-]
88 87 28562 28563; 28564 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion [H]C(=O)C1=C(COP(=O)([O-])[O-])C=NC(C)=C1O.C[C@@H]([NH3+])C(=O)[O-]>>CC1=C(O)C(C[NH3+])=C(COP(=O)([O-])[O-])C=N1.CC(=O)C(=O)[O-]
89 88 30023 30024; 30025 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion [H]C(=O)C1=C(COP(=O)([O-])[O-])C=NC(C)=C1O.C[C@H]([NH3+])C(=O)[O-]>>CC1=C(O)C(C[NH3+])=C(COP(=O)([O-])[O-])C=N1.CC(=O)C(=O)[O-]
90 89 30875 30876; 30877 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion [NH3+]CCCC[C@@H]([NH3+])C(=O)[O-].O=C([O-])CCC(=O)C(=O)[O-]>>[NH3+]CCCCC(=O)C(=O)[O-].[NH3+][C@H](CCC(=O)[O-])C(=O)[O-]
91 90 31071 31072; 31073 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion C[C@@H](C=O)C(=O)[O-].C[C@H]([NH3+])C(=O)[O-]>>C[C@@H](C[NH3+])C(=O)[O-].CC(=O)C(=O)[O-]
92 91 33131 33132; 33133 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion O=C([O-])C(=O)CC1C=CC(O)CC1.[NH3+][C@@H](CC1=CC=CC=C1)C(=O)[O-]>>[NH3+]C(CC1C=CC(O)CC1)C(=O)[O-].O=C([O-])C(=O)CC1=CC=CC=C1
93 92 37587 37588; 37589 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion [NH3+]CCCC[C@@H]([NH3+])C(=O)[O-].O=C([O-])CCC(=O)C(=O)[O-]>>[NH3+]CCCCC(=O)C(=O)[O-].[NH3+][C@@H](CCC(=O)[O-])C(=O)[O-]
94 93 40011 40012; 40013 LR; RL 3.1.7.9 3.1.7 4 2 8 8 unclassified_unique_ec4 MCSA_954_1_0; MCSA_954_2_0 954 3.1.7.9 8 add:C~O:-,chg:C~C:->=,chg:C~C:=>-,del:C~O:- Arg38; Asp34; Tyr51; Tyr90 Arg38; Asp34; Tyr51; Tyr90 Arg38; Asp34; Tyr51; Tyr90 water + tuberculosinyl diphosphate(3-) -> diphosphate(3-) + (13R)-edaxadiene [H][C@@]12CCC(=C)[C@H](CC/C(C)=C/COP(=O)([O-])OP(=O)([O-])[O-])[C@@]1(C)CCCC2(C)C.[H]O[H]>>[H][C@]1(CC[C@@](C)(O)C=C)C(=C)CC[C@@]2([H])C(C)(C)CCC[C@]12C.O=P([O-])([O-])OP(=O)([O-])O
95 94 40015 40016; 40017 LR; RL 3.1.7.9 3.1.7 4 2 8 8 unclassified_unique_ec4 MCSA_954_1_0; MCSA_954_2_0 954 3.1.7.9 8 add:C~O:-,chg:C~C:->=,chg:C~C:=>-,del:C~O:- Arg38; Asp34; Tyr51; Tyr90 Arg38; Asp34; Tyr51; Tyr90 Arg38; Asp34; Tyr51; Tyr90 water + tuberculosinyl diphosphate(3-) -> diphosphate(3-) + (13R)-edaxadiene [H][C@@]12CCC(=C)[C@H](CC/C(C)=C/COP(=O)([O-])OP(=O)([O-])[O-])[C@@]1(C)CCCC2(C)C.[H]O[H]>>[H][C@]1(CC[C@](C)(O)C=C)C(=C)CC[C@@]2([H])C(C)(C)CCC[C@]12C.O=P([O-])([O-])OP(=O)([O-])O
96 95 40027 40028; 40029 LR; RL 3.1.7.9 3.1.7 4 2 8 8 unclassified_unique_ec4 MCSA_954_1_0; MCSA_954_2_0 954 3.1.7.9 8 add:C~O:-,chg:C~C:->=,chg:C~C:=>-,del:C~O:- Arg38; Asp34; Tyr51; Tyr90 Arg38; Asp34; Tyr51; Tyr90 Arg38; Asp34; Tyr51; Tyr90 water + tuberculosinyl diphosphate(3-) -> diphosphate(3-) + (13R)-edaxadiene [H][C@@]12CCC(=C)[C@@H](CC/C(C)=C/COP(=O)([O-])OP(=O)([O-])[O-])[C@@]1(C)CCCC2(C)C.[H]O[H]>>[H][C@@]12CCC(=C)[C@@]([H])(CC[C@](C)(O)C=C)[C@@]1(C)CCCC2(C)C.O=P([O-])([O-])OP(=O)([O-])O
97 96 40031 40032; 40033 LR; RL 3.1.7.9 3.1.7 4 2 8 8 unclassified_unique_ec4 MCSA_954_1_0; MCSA_954_2_0 954 3.1.7.9 8 add:C~O:-,chg:C~C:->=,chg:C~C:=>-,del:C~O:- Arg38; Asp34; Tyr51; Tyr90 Arg38; Asp34; Tyr51; Tyr90 Arg38; Asp34; Tyr51; Tyr90 water + tuberculosinyl diphosphate(3-) -> diphosphate(3-) + (13R)-edaxadiene [H][C@]12CCC(=C)[C@@H](CC/C(C)=C/COP(=O)([O-])OP(=O)([O-])[O-])[C@]1(C)CCCC2(C)C.[H]O[H]>>[H][C@@]1(CC[C@](C)(O)C=C)C(=C)CC[C@]2([H])C(C)(C)CCC[C@@]12C.O=P([O-])([O-])OP(=O)([O-])O
98 97 42504 42505; 42506 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion CC(=O)NCCCC[C@H]([NH3+])C(=O)[O-].O=C([O-])CCC(=O)C(=O)[O-]>>CC(=O)NCCCCC(=O)C(=O)[O-].[NH3+][C@@H](CCC(=O)[O-])C(=O)[O-]
99 98 47084 47085; 47086 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion CSCCC(=O)C(=O)[O-].[NH3+][C@@H](CC1=CC=C(O)C=C1)C(=O)[O-]>>O=C([O-])C(=O)CC1=CC=C(O)C=C1.CSCC[C@H]([NH3+])C(=O)[O-]
100 99 47320 47321; 47322 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion [NH3+][C@@H](CC(=O)[O-])C1=CC=CC=C1.O=C([O-])CCC(=O)C(=O)[O-]>>O=C([O-])CC(=O)C1=CC=CC=C1.[NH3+][C@@H](CCC(=O)[O-])C(=O)[O-]
101 100 47324 47325; 47326 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion [NH3+][C@@H](CC(=O)[O-])C1=CC=CC=C1.CC(=O)C(=O)[O-]>>O=C([O-])CC(=O)C1=CC=CC=C1.C[C@H]([NH3+])C(=O)[O-]
102 101 47800 47801; 47802 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion *[C@H]([NH3+])C(=O)[O-].CSCCC(=O)C(=O)[O-]>>*C(=O)C(=O)[O-].CSCC[C@H]([NH3+])C(=O)[O-]
103 102 51068 51069; 51070 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion CCCC[C@@H](C)[C@@H](O)[C@@H](O)C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)[C@H](C)[NH3+].CC(=O)C(=O)[O-]>>CCCC[C@@H](C)[C@@H](O)[C@@H](O)C[C@@H](C)C[C@H](O)CCCC[C@@H](O)C[C@H](O)C(C)=O.C[C@H]([NH3+])C(=O)[O-]
104 103 56984 56985; 56986 LR; RL 3.1.7.9 3.1.7 4 2 8 8 unclassified_unique_ec4 MCSA_954_1_0; MCSA_954_2_0 954 3.1.7.9 8 add:C~O:-,chg:C~C:->=,chg:C~C:=>-,del:C~O:- Arg38; Asp34; Tyr51; Tyr90 Arg38; Asp34; Tyr51; Tyr90 Arg38; Asp34; Tyr51; Tyr90 water + tuberculosinyl diphosphate(3-) -> diphosphate(3-) + (13R)-edaxadiene CC(C)=CCC/C(C)=C/CC/C(C)=C/COP(=O)([O-])OP(=O)([O-])[O-].[H]O[H]>>C=CC(C)(O)CC/C=C(\C)CCC=C(C)C.O=P([O-])([O-])OP(=O)([O-])O
105 104 59384 59385; 59386 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion NC1=CC=C(C[C@H]([NH3+])C(=O)[O-])C=C1.O=C([O-])CCC(=O)C(=O)[O-]>>NC1=CC=C(CC(=O)C(=O)[O-])C=C1.[NH3+][C@@H](CCC(=O)[O-])C(=O)[O-]
106 105 59824 59825; 59826 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion CC1=C(O)C(C[NH3+])=C(COP(=O)([O-])[O-])C=N1.O=C([O-])CCC(=O)C(=O)[O-]>>[H]C(=O)C1=C(COP(=O)([O-])[O-])C=NC(C)=C1O.[NH3+][C@@H](CCC(=O)[O-])C(=O)[O-]
107 106 61624 61625; 61626 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion [NH3+]CCCCC[NH3+].O=C([O-])CCC(=O)C(=O)[O-]>>[H]C(=O)CCCC[NH3+].[NH3+][C@@H](CCC(=O)[O-])C(=O)[O-]
108 107 62180 62181; 62182 LR; RL 3.1.7.9 3.1.7 4 2 8 8 unclassified_unique_ec4 MCSA_954_1_0; MCSA_954_2_0 954 3.1.7.9 8 add:C~O:-,chg:C~C:->=,chg:C~C:=>-,del:C~O:- Arg38; Asp34; Tyr51; Tyr90 Arg38; Asp34; Tyr51; Tyr90 Arg38; Asp34; Tyr51; Tyr90 water + tuberculosinyl diphosphate(3-) -> diphosphate(3-) + (13R)-edaxadiene [H][C@@]12CC[C@@H](C)[C@](O)(CC/C(C)=C/COP(=O)([O-])OP(=O)([O-])[O-])[C@@]1(C)CCCC2(C)C.[H]O[H]>>[H][C@@]12CC[C@@H](C)[C@](O)(CCC(C)(O)C=C)[C@@]1(C)CCCC2(C)C.O=P([O-])([O-])OP(=O)([O-])O
109 108 64272 64273; 64274 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion [NH3+]CC1=CC=CC=C1.CC(=O)C(=O)[O-]>>[H]C(=O)C1=CC=CC=C1.C[C@H]([NH3+])C(=O)[O-]
110 109 64280 64281; 64282 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion C[C@H]([NH3+])C1=CC=CC=C1.CC(=O)C(=O)[O-]>>CC(=O)C1=CC=CC=C1.C[C@H]([NH3+])C(=O)[O-]
111 110 64284 64285; 64286 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion [NH3+]CCC1=CC=CC=C1.CC(=O)C(=O)[O-]>>[H]C(=O)CC1=CC=CC=C1.C[C@H]([NH3+])C(=O)[O-]
112 111 64300 64301; 64302 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion [NH3+]CCCC1=CC=CC=C1.CC(=O)C(=O)[O-]>>[H]C(=O)CCC1=CC=CC=C1.C[C@H]([NH3+])C(=O)[O-]
113 112 64304 64305; 64306 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion CCC([NH3+])C1=CC=CC=C1.CC(=O)C(=O)[O-]>>CCC(=O)C1=CC=CC=C1.C[C@H]([NH3+])C(=O)[O-]
114 113 64308 64309; 64310 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion CC([NH3+])CC(=O)[O-].CC(=O)C(=O)[O-]>>CC(=O)CC(=O)[O-].C[C@H]([NH3+])C(=O)[O-]
115 114 65888 65889; 65890 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion NC1=C(O)C=CC=C1C(=O)C[C@H]([NH3+])C(=O)[O-].O=C([O-])CCC(=O)C(=O)[O-]>>NC1=C(O)C=CC=C1C(=O)CC(=O)C(=O)[O-].[NH3+][C@@H](CCC(=O)[O-])C(=O)[O-]
116 115 65904 65905; 65906 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion NC1=C(O)C=CC=C1C(=O)C[C@H]([NH3+])C(=O)[O-].[H]C(=O)C(=O)[O-]>>NC1=C(O)C=CC=C1C(=O)CC(=O)C(=O)[O-].[NH3+]CC(=O)[O-]
117 116 65912 65913; 65914 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion NC1=C(O)C=CC=C1C(=O)C[C@H]([NH3+])C(=O)[O-].CC(=O)C(=O)[O-]>>NC1=C(O)C=CC=C1C(=O)CC(=O)C(=O)[O-].C[C@H]([NH3+])C(=O)[O-]
118 117 65920 65921; 65922 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion NC1=CC=CC=C1C(=O)C[C@H]([NH3+])C(=O)[O-].CC(=O)C(=O)[O-]>>NC1=C(C(=O)CC(=O)C(=O)[O-])C=CC=C1.C[C@H]([NH3+])C(=O)[O-]
119 118 66048 66049; 66050 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion CCC(=O)C(=O)[O-].NC1=CC=CC=C1C(=O)C[C@H]([NH3+])C(=O)[O-]>>NC1=C(C(=O)CC(=O)C(=O)[O-])C=CC=C1.CC[C@H]([NH3+])C(=O)[O-]
120 119 66056 66057; 66058 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion O=C([O-])C(=O)CC1=CNC2=C1C=CC=C2.NC1=CC=CC=C1C(=O)C[C@H]([NH3+])C(=O)[O-]>>NC1=C(C(=O)CC(=O)C(=O)[O-])C=CC=C1.[NH3+][C@@H](CC1=CNC2=C1C=CC=C2)C(=O)[O-]
121 120 66064 66065; 66066 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion CCCCC(=O)C(=O)[O-].NC1=CC=CC=C1C(=O)C[C@H]([NH3+])C(=O)[O-]>>CCCC[C@H]([NH3+])C(=O)[O-].NC1=C(C(=O)CC(=O)C(=O)[O-])C=CC=C1
122 121 66072 66073; 66074 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion CC(C)CC(=O)C(=O)[O-].NC1=CC=CC=C1C(=O)C[C@H]([NH3+])C(=O)[O-]>>NC1=C(C(=O)CC(=O)C(=O)[O-])C=CC=C1.CC(C)C[C@H]([NH3+])C(=O)[O-]
123 122 66080 66081; 66082 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion CCCC(=O)C(=O)[O-].NC1=CC=CC=C1C(=O)C[C@H]([NH3+])C(=O)[O-]>>CCC[C@H]([NH3+])C(=O)[O-].NC1=C(C(=O)CC(=O)C(=O)[O-])C=CC=C1
124 123 66088 66089; 66090 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion NC1=CC=CC=C1C(=O)C[C@H]([NH3+])C(=O)[O-].O=C([O-])CC(=O)C(=O)[O-]>>NC1=C(C(=O)CC(=O)C(=O)[O-])C=CC=C1.[NH3+][C@@H](CC(=O)[O-])C(=O)[O-]
125 124 66096 66097; 66098 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion O=C([O-])C(=O)CC1=CC=CC=C1.NC1=CC=CC=C1C(=O)C[C@H]([NH3+])C(=O)[O-]>>NC1=C(C(=O)CC(=O)C(=O)[O-])C=CC=C1.[NH3+][C@@H](CC1=CC=CC=C1)C(=O)[O-]
126 125 66104 66105; 66106 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion O=C([O-])C(=O)CC1=CC=C(O)C=C1.NC1=CC=CC=C1C(=O)C[C@H]([NH3+])C(=O)[O-]>>NC1=C(C(=O)CC(=O)C(=O)[O-])C=CC=C1.[NH3+][C@@H](CC1=CC=C(O)C=C1)C(=O)[O-]
127 126 66108 66109; 66110 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion CCC(=O)C(=O)[O-].[NH3+][C@@H](CS)C(=O)[O-]>>O=C([O-])C(=O)CS.CC[C@H]([NH3+])C(=O)[O-]
128 127 66112 66113; 66114 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion CCC(=O)C(=O)[O-].[NH3+][C@@H](CC1=CC=C(O)C=C1)C(=O)[O-]>>CC[C@H]([NH3+])C(=O)[O-].O=C([O-])C(=O)CC1=CC=C(O)C=C1
129 128 66116 66117; 66118 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion CCC(=O)C(=O)[O-].NC(=O)CC[C@H]([NH3+])C(=O)[O-]>>NC(=O)CCC(=O)C(=O)[O-].CC[C@H]([NH3+])C(=O)[O-]
130 129 66120 66121; 66122 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion CCC(=O)C(=O)[O-].CSCC[C@H]([NH3+])C(=O)[O-]>>CC[C@H]([NH3+])C(=O)[O-].CSCCC(=O)C(=O)[O-]
131 130 66124 66125; 66126 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion CCC(=O)C(=O)[O-].[NH3+][C@@H](CC1=CNC=N1)C(=O)[O-]>>O=C([O-])C(=O)CC1=CN=CN1.CC[C@H]([NH3+])C(=O)[O-]
132 131 66128 66129; 66130 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion CCC(=O)C(=O)[O-].[NH3+][C@@H](CC1=CC=CC=C1)C(=O)[O-]>>CC[C@H]([NH3+])C(=O)[O-].O=C([O-])C(=O)CC1=CC=CC=C1
133 132 67168 67169; 67170 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion [NH3+][C@@H](CC1=CC=CC(O)=C1)C(=O)[O-].O=C([O-])CCC(=O)C(=O)[O-]>>O=C([O-])C(=O)CC1=CC(O)=CC=C1.[NH3+][C@@H](CCC(=O)[O-])C(=O)[O-]
134 133 68372 68373; 68374 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion NC(=O)C[C@H]([NH3+])C(=O)[O-].CC(=O)C(=O)[O-]>>NC(=O)CC(=O)C(=O)[O-].C[C@H]([NH3+])C(=O)[O-]
135 134 68376 68377; 68378 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion NC(=O)C[C@H]([NH3+])C(=O)[O-].[H]C(=O)C(=O)[O-]>>NC(=O)CC(=O)C(=O)[O-].[NH3+]CC(=O)[O-]
136 135 68380 68381; 68382 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion O=C([O-])C(=O)CO.NC(=O)C[C@H]([NH3+])C(=O)[O-]>>NC(=O)CC(=O)C(=O)[O-].[NH3+][C@@H](CO)C(=O)[O-]
137 136 68708 68709; 68710 LR; RL 3.1.7.9 3.1.7 4 2 8 8 unclassified_unique_ec4 MCSA_954_1_0; MCSA_954_2_0 954 3.1.7.9 8 add:C~O:-,chg:C~C:->=,chg:C~C:=>-,del:C~O:- Arg38; Asp34; Tyr51; Tyr90 Arg38; Asp34; Tyr51; Tyr90 Arg38; Asp34; Tyr51; Tyr90 water + tuberculosinyl diphosphate(3-) -> diphosphate(3-) + (13R)-edaxadiene CC(C)=CCC/C(C)=C/COP(=O)([O-])OP(=O)([O-])[O-].[H]O[H]>>C=CC(C)(O)CCC=C(C)C.O=P([O-])([O-])OP(=O)([O-])O
138 137 68820 68821; 68822 LR; RL 3.1.7.9 3.1.7 4 2 8 8 unclassified_unique_ec4 MCSA_954_1_0; MCSA_954_2_0 954 3.1.7.9 8 add:C~O:-,chg:C~C:->=,chg:C~C:=>-,del:C~O:- Arg38; Asp34; Tyr51; Tyr90 Arg38; Asp34; Tyr51; Tyr90 Arg38; Asp34; Tyr51; Tyr90 water + tuberculosinyl diphosphate(3-) -> diphosphate(3-) + (13R)-edaxadiene CC(C)=CCC/C(C)=C/CC/C(C)=C\COP(=O)([O-])OP(=O)([O-])[O-].[H]O[H]>>C=CC(C)(O)CC/C=C(\C)CCC=C(C)C.O=P([O-])([O-])OP(=O)([O-])O
139 138 68832 68833; 68834 LR; RL 3.1.7.9 3.1.7 4 2 8 8 unclassified_unique_ec4 MCSA_954_1_0; MCSA_954_2_0 954 3.1.7.9 8 add:C~O:-,chg:C~C:->=,chg:C~C:=>-,del:C~O:- Arg38; Asp34; Tyr51; Tyr90 Arg38; Asp34; Tyr51; Tyr90 Arg38; Asp34; Tyr51; Tyr90 water + tuberculosinyl diphosphate(3-) -> diphosphate(3-) + (13R)-edaxadiene CC(C)=CCC/C(C)=C\CC/C(C)=C\COP(=O)([O-])OP(=O)([O-])[O-].[H]O[H]>>C=CC(C)(O)CC/C=C(/C)CCC=C(C)C.O=P([O-])([O-])OP(=O)([O-])O
140 139 69100 69101; 69102 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion CSCCC(=O)C(=O)[O-].NC1=CC=CC=C1C(=O)C[C@H]([NH3+])C(=O)[O-]>>NC1=C(C(=O)CC(=O)C(=O)[O-])C=CC=C1.CSCC[C@H]([NH3+])C(=O)[O-]
141 140 69108 69109; 69110 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion O=C([O-])C(=O)CS.NC1=CC=CC=C1C(=O)C[C@H]([NH3+])C(=O)[O-]>>NC1=C(C(=O)CC(=O)C(=O)[O-])C=CC=C1.[NH3+][C@@H](CS)C(=O)[O-]
142 141 69112 69113; 69114 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion [NH3+][C@@H](CCCC(=O)[O-])C(=O)[O-].[H]C(=O)C(=O)[O-]>>O=C([O-])CCCC(=O)C(=O)[O-].[NH3+]CC(=O)[O-]
143 142 69116 69117; 69118 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion [NH3+][C@@H](CC1=CC=C(O)C=C1)C(=O)[O-].[H]C(=O)C(=O)[O-]>>O=C([O-])C(=O)CC1=CC=C(O)C=C1.[NH3+]CC(=O)[O-]
144 143 69120 69121; 69122 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion [H]C(=O)C(=O)[O-].[NH3+][C@@H](CC1=CC=CC=C1)C(=O)[O-]>>O=C([O-])C(=O)CC1=CC=CC=C1.[NH3+]CC(=O)[O-]
145 144 69124 69125; 69126 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion [NH3+][C@@H](CC1=CNC2=C1C=CC=C2)C(=O)[O-].[H]C(=O)C(=O)[O-]>>O=C([O-])C(=O)CC1=CNC2=C1C=CC=C2.[NH3+]CC(=O)[O-]
146 145 69128 69129; 69130 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion CC(C)C[C@H]([NH3+])C(=O)[O-].[H]C(=O)C(=O)[O-]>>CC(C)CC(=O)C(=O)[O-].[NH3+]CC(=O)[O-]
147 146 69552 69553; 69554 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion O=C(CO)COP(=O)([O-])[O-].[NH3+][C@@H](CCC(=O)[O-])C(=O)[O-]>>[NH3+][C@@H](CO)COP(=O)([O-])[O-].O=C([O-])CCC(=O)C(=O)[O-]
148 147 70051 70052; 70053 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion O=C([O-])CCCC(=O)C(=O)[O-].NC1=CC=CC=C1C(=O)C[C@H]([NH3+])C(=O)[O-]>>NC1=C(C(=O)CC(=O)C(=O)[O-])C=CC=C1.[NH3+][C@@H](CCCC(=O)[O-])C(=O)[O-]
149 148 70167 70168; 70169 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion CN1C2=C(N=C(N)NC2=O)NC[C@@H]1CNC1=CC=C(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C=C1.[H+]>>CN1C2=C(N=C(N)NC2=O)NC[C@@H]1CNC1=CC=C(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])C=C1.[H+]
150 149 70223 70224; 70225 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion CC[C@H]([NH3+])C(=O)[O-].O=C([O-])CCC(=O)C(=O)[O-]>>CCC(=O)C(=O)[O-].[NH3+][C@@H](CCC(=O)[O-])C(=O)[O-]
151 150 70295 70296; 70297 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion [NH3+][C@@H](CS(=O)[O-])C(=O)[O-].O=C([O-])CCC(=O)C(=O)[O-]>>O=C([O-])C(=O)CS(=O)[O-].[NH3+][C@@H](CCC(=O)[O-])C(=O)[O-]
152 151 75403 75404; 75405 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion [NH3+]CCC[NH3+].CC(=O)C(=O)[O-]>>[H]C(=O)CC[NH3+].C[C@H]([NH3+])C(=O)[O-]
153 152 76071 76072; 76073 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion [H][C@]1([C@@H](O)[C@H](C)O)CNC2=C(N1)C(=O)N/C(N)=N\2.O=C([O-])*C(=O)[O-]>>[H][C@]1([C@@H](O)[C@H](C)O)CNC2=C(N1)C(=O)N/C(N)=N\2.O=C([O-])*C(=O)[O-]
154 153 76075 76076; 76077 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion C[C@H](O)[C@H](O)C1=NC2=C(NC1)NC(N)=NC2=O.O=C([O-])*C(=O)[O-]>>C[C@H](O)[C@H](O)C1=NC2=C(NC1)NC(N)=NC2=O.O=C([O-])*C(=O)[O-]
155 154 76079 76080; 76081 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion C[C@H](O)C(=O)C1=NC2=C(N=C(N)NC2=O)NC1.O=C([O-])*C(=O)[O-]>>C[C@H](O)C(=O)C1=NC2=C(N=C(N)NC2=O)NC1.O=C([O-])*C(=O)[O-]
156 155 77303 77304; 77305 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion CN(C)C(=[NH2+])NCCC[C@H]([NH3+])C(=O)[O-].CC(=O)C(=O)[O-]>>CN(C)C(=[NH2+])NCCCC(=O)C(=O)[O-].C[C@H]([NH3+])C(=O)[O-]
157 156 77307 77308; 77309 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion CN/C(NCCC[C@H]([NH3+])C(=O)[O-])=[NH+]\C.CC(=O)C(=O)[O-]>>CN/C(NCCCC(=O)C(=O)[O-])=[NH+]/C.C[C@H]([NH3+])C(=O)[O-]
158 157 77311 77312; 77313 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion CN(C)C(=[NH2+])NCCC[C@H]([NH3+])C(=O)[O-].[H]C(=O)C(=O)[O-]>>CN(C)C(=[NH2+])NCCCC(=O)C(=O)[O-].[NH3+]CC(=O)[O-]
159 158 77315 77316; 77317 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion CN/C(NCCC[C@H]([NH3+])C(=O)[O-])=[NH+]\C.[H]C(=O)C(=O)[O-]>>CN/C(NCCCC(=O)C(=O)[O-])=[NH+]/C.[NH3+]CC(=O)[O-]
160 159 77319 77320; 77321 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion CNC(=[NH2+])NCCC[C@H]([NH3+])C(=O)[O-].CC(=O)C(=O)[O-]>>CNC(=[NH2+])NCCCC(=O)C(=O)[O-].C[C@H]([NH3+])C(=O)[O-]
161 160 77323 77324; 77325 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion CNC(=[NH2+])NCCC[C@H]([NH3+])C(=O)[O-].[H]C(=O)C(=O)[O-]>>CNC(=[NH2+])NCCCC(=O)C(=O)[O-].[NH3+]CC(=O)[O-]
162 161 77327 77328; 77329 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion [NH3+]CCC[C@H]([NH3+])C(=O)[O-].CC(=O)C(=O)[O-]>>[NH3+]CCCC(=O)C(=O)[O-].C[C@H]([NH3+])C(=O)[O-]
163 162 77331 77332; 77333 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion [NH3+]CCC[C@H]([NH3+])C(=O)[O-].[H]C(=O)C(=O)[O-]>>[NH3+]CCCC(=O)C(=O)[O-].[NH3+]CC(=O)[O-]
164 163 77339 77340; 77341 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion CC[C@H]([NH3+])C(=O)[O-].[H]C(=O)C(=O)[O-]>>CCC(=O)C(=O)[O-].[NH3+]CC(=O)[O-]
165 164 77343 77344; 77345 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion CN(C)C(=[NH2+])NCCC[C@H]([NH3+])C(=O)[O-].O=C([O-])CC(=O)C(=O)[O-]>>CN(C)C(=[NH2+])NCCCC(=O)C(=O)[O-].[NH3+][C@@H](CC(=O)[O-])C(=O)[O-]
166 165 77347 77348; 77349 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion O=C([O-])CC(=O)C(=O)[O-].C[C@H]([NH3+])C(=O)[O-]>>[NH3+][C@@H](CC(=O)[O-])C(=O)[O-].CC(=O)C(=O)[O-]
167 166 77351 77352; 77353 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion CN(C)C(=[NH2+])NCCC[C@H]([NH3+])C(=O)[O-].CCC(=O)C(=O)[O-]>>CN(C)C(=[NH2+])NCCCC(=O)C(=O)[O-].CC[C@H]([NH3+])C(=O)[O-]
168 167 77359 77360; 77361 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion CCCC(=O)C(=O)[O-].CN(C)C(=[NH2+])NCCC[C@H]([NH3+])C(=O)[O-]>>CN(C)C(=[NH2+])NCCCC(=O)C(=O)[O-].CCC[C@H]([NH3+])C(=O)[O-]
169 168 77363 77364; 77365 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion CCCCC(=O)C(=O)[O-].CN(C)C(=[NH2+])NCCC[C@H]([NH3+])C(=O)[O-]>>CCCC[C@H]([NH3+])C(=O)[O-].CN(C)C(=[NH2+])NCCCC(=O)C(=O)[O-]
170 169 78323 78324; 78325 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion [H]C(=O)C(=O)[O-].NC(=O)CC[C@H]([NH3+])C(=O)[O-]>>NC(=O)CCC(=O)C(=O)[O-].[NH3+]CC(=O)[O-]
171 170 78703 78704; 78705 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion CP(=O)([O-])CCC(=O)C(=O)[O-].[NH3+][C@@H](CCC(=O)[O-])C(=O)[O-]>>CP(=O)([O-])CC[C@H]([NH3+])C(=O)[O-].O=C([O-])CCC(=O)C(=O)[O-]
172 171 81615 81616; 81617 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion CC[C@H](C)[C@H]([NH3+])C(=O)[O-].[H]C(=O)C(=O)[O-]>>CC[C@H](C)C(=O)C(=O)[O-].[NH3+]CC(=O)[O-]
173 172 81619 81620; 81621 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion *[C@H]([NH3+])C(=O)[O-].[H]C(=O)C(=O)[O-]>>[1*]C(=O)C(=O)[O-].[NH3+]CC(=O)[O-]
174 173 81623 81624; 81625 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion [NH3+]CCCC[C@H]([NH3+])C(=O)[O-].[H]C(=O)C(=O)[O-]>>[NH3+]CCCCC(=O)C(=O)[O-].[NH3+]CC(=O)[O-]
175 174 81627 81628; 81629 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion CC(C)[C@H]([NH3+])C(=O)[O-].[H]C(=O)C(=O)[O-]>>CC(C)C(=O)C(=O)[O-].[NH3+]CC(=O)[O-]
176 175 81631 81632; 81633 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion [NH3+][C@@H](CS)C(=O)[O-].[H]C(=O)C(=O)[O-]>>O=C([O-])C(=O)CS.[NH3+]CC(=O)[O-]
177 176 81635 81636; 81637 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion CC(C)CC(=O)C(=O)[O-].C[C@H]([NH3+])C(=O)[O-]>>CC(C)C[C@H]([NH3+])C(=O)[O-].CC(=O)C(=O)[O-]
178 177 82415 82416; 82417 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion [NH3+][C@@H](CS)C(=O)[O-].CC(=O)C(=O)[O-]>>O=C([O-])C(=O)CS.C[C@H]([NH3+])C(=O)[O-]
179 178 82419 82420; 82421 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion NC1=C(O)C=CC=C1C(=O)C[C@H]([NH3+])C(=O)[O-].CCC(=O)C(=O)[O-]>>NC1=C(O)C=CC=C1C(=O)CC(=O)C(=O)[O-].CC[C@H]([NH3+])C(=O)[O-]
180 179 82423 82424; 82425 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion NC1=C(O)C=CC=C1C(=O)C[C@H]([NH3+])C(=O)[O-].CSCCC(=O)C(=O)[O-]>>NC1=C(O)C=CC=C1C(=O)CC(=O)C(=O)[O-].CSCC[C@H]([NH3+])C(=O)[O-]
181 180 82427 82428; 82429 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion NC1=C(O)C=CC=C1C(=O)C[C@H]([NH3+])C(=O)[O-].O=C([O-])CC(=O)C(=O)[O-]>>NC1=C(O)C=CC=C1C(=O)CC(=O)C(=O)[O-].[NH3+][C@@H](CC(=O)[O-])C(=O)[O-]
182 181 82431 82432; 82433 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion NC1=C(O)C=CC=C1C(=O)C[C@H]([NH3+])C(=O)[O-].O=C([O-])C(=O)CC1=CC=CC=C1>>NC1=C(O)C=CC=C1C(=O)CC(=O)C(=O)[O-].[NH3+][C@@H](CC1=CC=CC=C1)C(=O)[O-]
183 182 82787 82788; 82789 LR; RL 2.6.1.21 2.6.1 4 2 8 8 unclassified_unique_ec4 MCSA_66_1_170; MCSA_66_1_171 66 2.6.1.21 8 add:C~N:-,add:C~O:=,del:C~N:-,del:C~O:= Lys145 Lys145 Glu177; Leu201; Lys145; Tyr31 D-glutamate(1-) + pyruvate -> 2-oxoglutarate(2-) + D-alanine zwitterion C[C@H]1O[C@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=CC(=O)NC3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1[NH3+].O=C([O-])CCC(=O)C(=O)[O-]>>C[C@H]1O[C@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=CC(=O)NC3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)C1=O.[NH3+][C@@H](CCC(=O)[O-])C(=O)[O-]
184 183 29647 29648; 29649 LR; RL 2.4.1.1 2.4.1 1 1 7 7 unclassified_unique_ec4 MCSA_205_1_0 205 2.4.1.1 7 add:C~O:-,del:C~O:- Lys568 Lys568 Arg569; His377; Lys568; Lys574; Lys680; Thr676 alpha-maltose + hydrogenphosphate -> alpha-D-glucose 1-phosphate(2-) + alpha-D-glucose OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O.O=P([O-])([O-])O>>OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]4CO)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O.O=P([O-])([O-])O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
185 184 29683 29684; 29685 LR; RL 2.4.1.1 2.4.1 1 1 7 7 unclassified_unique_ec4 MCSA_205_1_0 205 2.4.1.1 7 add:C~O:-,del:C~O:- Lys568 Lys568 Arg569; His377; Lys568; Lys574; Lys680; Thr676 alpha-maltose + hydrogenphosphate -> alpha-D-glucose 1-phosphate(2-) + alpha-D-glucose OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]6CO)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O.O=P([O-])([O-])O>>OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O.O=P([O-])([O-])O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
186 185 29691 29692; 29693 LR; RL 2.4.1.1 2.4.1 1 1 7 7 unclassified_unique_ec4 MCSA_205_1_0 205 2.4.1.1 7 add:C~O:-,del:C~O:- Lys568 Lys568 Arg569; His377; Lys568; Lys574; Lys680; Thr676 alpha-maltose + hydrogenphosphate -> alpha-D-glucose 1-phosphate(2-) + alpha-D-glucose OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]4CO)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O.O=P([O-])([O-])O>>OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O.O=P([O-])([O-])O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
187 186 52460 52461; 52462 LR; RL 2.4.1.1 2.4.1 1 1 7 7 unclassified_unique_ec4 MCSA_205_1_0 205 2.4.1.1 7 add:C~O:-,del:C~O:- Lys568 Lys568 Arg569; His377; Lys568; Lys574; Lys680; Thr676 alpha-maltose + hydrogenphosphate -> alpha-D-glucose 1-phosphate(2-) + alpha-D-glucose [H][C@@]12CCC3=C(C=CC(O[C@@H]4O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]4O)=C3)[C@@]1([H])CC[C@]1(C)[C@@H](O)CC[C@@]21[H].O=C1C=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]2O)C(=O)N1.[H+]>>[H][C@@]12CCC3=CC(O)=CC=C3[C@@]1([H])CC[C@]1(C)[C@@H](O)CC[C@@]21[H].O=C1C=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]3O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)C(=O)N1
188 187 52464 52465; 52466 LR; RL 2.4.1.1 2.4.1 1 1 7 7 unclassified_unique_ec4 MCSA_205_1_0 205 2.4.1.1 7 add:C~O:-,del:C~O:- Lys568 Lys568 Arg569; His377; Lys568; Lys574; Lys680; Thr676 alpha-maltose + hydrogenphosphate -> alpha-D-glucose 1-phosphate(2-) + alpha-D-glucose [H][C@@]12CCC3=C(C=CC(O)=C3)[C@@]1([H])CC[C@]1(C)[C@@H](O[C@@H]3O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]3O)CC[C@@]21[H].O=C1C=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]2O)C(=O)N1.[H+]>>[H][C@@]12CCC3=CC(O)=CC=C3[C@@]1([H])CC[C@]1(C)[C@@H](O)CC[C@@]21[H].O=C1C=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]3O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)C(=O)N1
189 188 53040 53041; 53042 LR; RL 2.4.1.1 2.4.1 1 1 7 7 unclassified_unique_ec4
190 189 56320 56321; 56322 LR; RL 2.4.1.1 2.4.1 1 1 7 7 unclassified_unique_ec4 MCSA_205_1_0 205 2.4.1.1 7 add:C~O:-,del:C~O:- Lys568 Lys568 Arg569; His377; Lys568; Lys574; Lys680; Thr676 alpha-maltose + hydrogenphosphate -> alpha-D-glucose 1-phosphate(2-) + alpha-D-glucose *C1=CC2=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C(*)=C(*)C=C2[O+]=C1C1=CC(*)=C(*)C(*)=C1.O=C1C=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]2O)C(=O)N1.[H+]>>*C1=CC2=C(O)C(*)=C(*)C=C2[O+]=C1C1=CC(*)=C(*)C(*)=C1.O=C1C=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)C(=O)N1
191 190 57468 57469; 57470 LR; RL 2.4.1.1 2.4.1 1 1 7 7 unclassified_unique_ec4 MCSA_205_1_0 205 2.4.1.1 7 add:C~O:-,del:C~O:- Lys568 Lys568 Arg569; His377; Lys568; Lys574; Lys680; Thr676 alpha-maltose + hydrogenphosphate -> alpha-D-glucose 1-phosphate(2-) + alpha-D-glucose COC1=CC(/C=C/C(=O)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=CC=C1O.O=C1C=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]2O)C(=O)N1>>COC1=C(O)C=CC(/C=C/C(=O)[O-])=C1.O=C1C=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)C(=O)N1
192 191 57708 57709; 57710 LR; RL 2.4.1.1 2.4.1 1 1 7 7 unclassified_unique_ec4 MCSA_205_1_0 205 2.4.1.1 7 add:C~O:-,del:C~O:- Lys568 Lys568 Arg569; His377; Lys568; Lys574; Lys680; Thr676 alpha-maltose + hydrogenphosphate -> alpha-D-glucose 1-phosphate(2-) + alpha-D-glucose COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=CC(/C=C/C=O)=C1.O=C1C=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]2O)C(=O)N1.[H+]>>COC1=CC(/C=C/C=O)=CC=C1O.O=C1C=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)C(=O)N1
193 192 61164 61165; 61166 LR; RL 2.4.1.1 2.4.1 1 1 7 7 unclassified_unique_ec4 MCSA_205_1_0 205 2.4.1.1 7 add:C~O:-,del:C~O:- Lys568 Lys568 Arg569; His377; Lys568; Lys574; Lys680; Thr676 alpha-maltose + hydrogenphosphate -> alpha-D-glucose 1-phosphate(2-) + alpha-D-glucose C[C@@H]1O[C@@H](OC2=C(C3=CC=C(O)C=C3)OC3=C(C2=O)C(O)=CC([O-])=C3)[C@H](O)[C@H](O)[C@H]1O.O=C1C=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]2O)C(=O)N1.[H+]>>O=C1C([O-])=C(C2=CC=C(O)C=C2)OC2=C1C(O)=CC(O)=C2.C[C@@H]1O[C@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=CC(=O)NC3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O
194 193 62312 62313; 62314 LR; RL 2.4.1.1 2.4.1 1 1 7 7 unclassified_unique_ec4 MCSA_205_1_0 205 2.4.1.1 7 add:C~O:-,del:C~O:- Lys568 Lys568 Arg569; His377; Lys568; Lys574; Lys680; Thr676 alpha-maltose + hydrogenphosphate -> alpha-D-glucose 1-phosphate(2-) + alpha-D-glucose O=C([O-])C1=CC=CC=C1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.O=C1C=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]2O)C(=O)N1.[H+]>>O=C([O-])C1=C(O)C=CC=C1.O=C1C=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)C(=O)N1
195 194 62316 62317; 62318 LR; RL 2.4.1.1 2.4.1 1 1 7 7 unclassified_unique_ec4 MCSA_205_1_0 205 2.4.1.1 7 add:C~O:-,del:C~O:- Lys568 Lys568 Arg569; His377; Lys568; Lys574; Lys680; Thr676 alpha-maltose + hydrogenphosphate -> alpha-D-glucose 1-phosphate(2-) + alpha-D-glucose O=C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C1=CC=CC=C1O.O=C1C=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]2O)C(=O)N1>>O=C([O-])C1=C(O)C=CC=C1.O=C1C=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)C(=O)N1
196 195 75903 75904; 75905 LR; RL 2.4.1.1 2.4.1 1 1 7 7 unclassified_unique_ec4 MCSA_205_1_0 205 2.4.1.1 7 add:C~O:-,del:C~O:- Lys568 Lys568 Arg569; His377; Lys568; Lys574; Lys680; Thr676 alpha-maltose + hydrogenphosphate -> alpha-D-glucose 1-phosphate(2-) + alpha-D-glucose *N[C@@H](CO[C@H]1O[C@]([H])([C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]1O)C(*)=O.NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O.[H+]>>[H][C@]1([C@H](O)CO)O[C@@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O.*N[C@@H](CO)C(*)=O
197 196 75907 75908; 75909 LR; RL 2.4.1.1 2.4.1 1 1 7 7 unclassified_unique_ec4 MCSA_205_1_0 205 2.4.1.1 7 add:C~O:-,del:C~O:- Lys568 Lys568 Arg569; His377; Lys568; Lys574; Lys680; Thr676 alpha-maltose + hydrogenphosphate -> alpha-D-glucose 1-phosphate(2-) + alpha-D-glucose *N[C@@H](CO[C@H]1O[C@]([H])([C@@H](O)CO)[C@@H](O)[C@H](O)[C@@H]1O)C(*)=O.NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O.[H+]>>[H][C@]1([C@@H](O)CO)O[C@@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O.*N[C@@H](CO)C(*)=O
198 197 79235 79236; 79237 LR; RL 4.3.1.24 4.3.1 1 1 7 7 unclassified_unique_ec4 MCSA_708_1_0 708 4.3.1.24 7 chg:C~C:->=,del:C~N:- Tyr351 Tyr351 Asp351; Gly400; Tyr110 L-phenylalanine zwitterion -> trans-cinnamate + ammonium COC1=CC=C(C[C@H]([NH3+])C(=O)[O-])C=C1OC>>COC1=CC=C(/C=C/C(=O)[O-])C=C1OC.[H][N+]([H])([H])[H]
199 198 83943 83944; 83945 LR; RL 4.3.1.24 4.3.1 1 1 7 7 unclassified_unique_ec4 MCSA_708_1_0 708 4.3.1.24 7 chg:C~C:->=,del:C~N:- Tyr351 Tyr351 Asp351; Gly400; Tyr110 L-phenylalanine zwitterion -> trans-cinnamate + ammonium CN1C=NC(C[C@H]([NH3+])C(=O)[O-])=C1>>CN1C=NC(/C=C/C(=O)[O-])=C1.[H][N+]([H])([H])[H]
200 199 84047 84048; 84049 LR; RL 4.3.1.24 4.3.1 1 1 7 7 unclassified_unique_ec4 MCSA_708_1_0 708 4.3.1.24 7 chg:C~C:->=,del:C~N:- Tyr351 Tyr351 Asp351; Gly400; Tyr110 L-phenylalanine zwitterion -> trans-cinnamate + ammonium C[N+](C)(C)[C@@H](CC1=CNC(=S)N1)C(=O)[O-]>>O=C([O-])/C=C/C1=CNC(=S)N1.C[NH+](C)C
201 200 85603 85604; 85605 LR; RL 4.2.1.84 4.2.1 1 1 7 7 unclassified_unique_ec4 MCSA_57_1_0 57 4.2.1.84 7 add:C~O:=,chg:C~N:#>- Arg56; Cys109; Ser113; Tyr72 Arg56; Cys109; Ser113; Tyr72 Arg56; Cys109; Cys112; Cys114; Ser113; Tyr72; Tyr76 nitrile + water -> aliphatic amide CC#N.[H]O[H]>>CC(N)=O
202 201 85607 85608; 85609 LR; RL 4.2.1.84 4.2.1 1 1 7 7 unclassified_unique_ec4 MCSA_57_1_0 57 4.2.1.84 7 add:C~O:=,chg:C~N:#>- Arg56; Cys109; Ser113; Tyr72 Arg56; Cys109; Ser113; Tyr72 Arg56; Cys109; Cys112; Cys114; Ser113; Tyr72; Tyr76 nitrile + water -> aliphatic amide CCC#N.[H]O[H]>>CCC(N)=O
203 202 85611 85612; 85613 LR; RL 4.2.1.84 4.2.1 1 1 7 7 unclassified_unique_ec4 MCSA_57_1_0 57 4.2.1.84 7 add:C~O:=,chg:C~N:#>- Arg56; Cys109; Ser113; Tyr72 Arg56; Cys109; Ser113; Tyr72 Arg56; Cys109; Cys112; Cys114; Ser113; Tyr72; Tyr76 nitrile + water -> aliphatic amide C=CC#N.[H]O[H]>>C=CC(N)=O
204 203 85643 85644; 85645 LR; RL 4.2.1.84 4.2.1 1 1 7 7 unclassified_unique_ec4 MCSA_57_1_0 57 4.2.1.84 7 add:C~O:=,chg:C~N:#>- Arg56; Cys109; Ser113; Tyr72 Arg56; Cys109; Ser113; Tyr72 Arg56; Cys109; Cys112; Cys114; Ser113; Tyr72; Tyr76 nitrile + water -> aliphatic amide N#CCO.[H]O[H]>>NC(=O)CO
205 204 85647 85648; 85649 LR; RL 4.2.1.84 4.2.1 1 1 7 7 unclassified_unique_ec4 MCSA_57_1_0 57 4.2.1.84 7 add:C~O:=,chg:C~N:#>- Arg56; Cys109; Ser113; Tyr72 Arg56; Cys109; Ser113; Tyr72 Arg56; Cys109; Cys112; Cys114; Ser113; Tyr72; Tyr76 nitrile + water -> aliphatic amide COCC#N.[H]O[H]>>COCC(N)=O
206 205 85651 85652; 85653 LR; RL 4.2.1.84 4.2.1 1 1 7 7 unclassified_unique_ec4 MCSA_57_1_0 57 4.2.1.84 7 add:C~O:=,chg:C~N:#>- Arg56; Cys109; Ser113; Tyr72 Arg56; Cys109; Ser113; Tyr72 Arg56; Cys109; Cys112; Cys114; Ser113; Tyr72; Tyr76 nitrile + water -> aliphatic amide CCCC#N.[H]O[H]>>CCCC(N)=O
207 206 85655 85656; 85657 LR; RL 4.2.1.84 4.2.1 1 1 7 7 unclassified_unique_ec4 MCSA_57_1_0 57 4.2.1.84 7 add:C~O:=,chg:C~N:#>- Arg56; Cys109; Ser113; Tyr72 Arg56; Cys109; Ser113; Tyr72 Arg56; Cys109; Cys112; Cys114; Ser113; Tyr72; Tyr76 nitrile + water -> aliphatic amide C=C(C)C#N.[H]O[H]>>C=C(C)C(N)=O
208 207 85659 85660; 85661 LR; RL 4.2.1.84 4.2.1 1 1 7 7 unclassified_unique_ec4 MCSA_57_1_0 57 4.2.1.84 7 add:C~O:=,chg:C~N:#>- Arg56; Cys109; Ser113; Tyr72 Arg56; Cys109; Ser113; Tyr72 Arg56; Cys109; Cys112; Cys114; Ser113; Tyr72; Tyr76 nitrile + water -> aliphatic amide N#CC1=CC=CN=C1.[H]O[H]>>NC(=O)C1=CC=CN=C1
209 208 85663 85664; 85665 LR; RL 4.2.1.84 4.2.1 1 1 7 7 unclassified_unique_ec4 MCSA_57_1_0 57 4.2.1.84 7 add:C~O:=,chg:C~N:#>- Arg56; Cys109; Ser113; Tyr72 Arg56; Cys109; Ser113; Tyr72 Arg56; Cys109; Cys112; Cys114; Ser113; Tyr72; Tyr76 nitrile + water -> aliphatic amide N#CC1=CC=NC=C1.[H]O[H]>>NC(=O)C1=CC=NC=C1
210 209 85667 85668; 85669 LR; RL 4.2.1.84 4.2.1 1 1 7 7 unclassified_unique_ec4 MCSA_57_1_0 57 4.2.1.84 7 add:C~O:=,chg:C~N:#>- Arg56; Cys109; Ser113; Tyr72 Arg56; Cys109; Ser113; Tyr72 Arg56; Cys109; Cys112; Cys114; Ser113; Tyr72; Tyr76 nitrile + water -> aliphatic amide N#CC1=CC=CC=C1.[H]O[H]>>NC(=O)C1=CC=CC=C1
211 210 85671 85672; 85673 LR; RL 4.2.1.84 4.2.1 1 1 7 7 unclassified_unique_ec4 MCSA_57_1_0 57 4.2.1.84 7 add:C~O:=,chg:C~N:#>- Arg56; Cys109; Ser113; Tyr72 Arg56; Cys109; Ser113; Tyr72 Arg56; Cys109; Cys112; Cys114; Ser113; Tyr72; Tyr76 nitrile + water -> aliphatic amide C/C=C/C#N.[H]O[H]>>C/C=C/C(N)=O
212 211 85675 85676; 85677 LR; RL 4.2.1.84 4.2.1 1 1 7 7 unclassified_unique_ec4 MCSA_57_1_0 57 4.2.1.84 7 add:C~O:=,chg:C~N:#>- Arg56; Cys109; Ser113; Tyr72 Arg56; Cys109; Ser113; Tyr72 Arg56; Cys109; Cys112; Cys114; Ser113; Tyr72; Tyr76 nitrile + water -> aliphatic amide N#CC1CC1.[H]O[H]>>NC(=O)C1CC1
213 212 85691 85692; 85693 LR; RL 4.2.1.84 4.2.1 1 1 7 7 unclassified_unique_ec4 MCSA_57_1_0 57 4.2.1.84 7 add:C~O:=,chg:C~N:#>- Arg56; Cys109; Ser113; Tyr72 Arg56; Cys109; Ser113; Tyr72 Arg56; Cys109; Cys112; Cys114; Ser113; Tyr72; Tyr76 nitrile + water -> aliphatic amide N#CCCO.[H]O[H]>>NC(=O)CCO
214 213 85695 85696; 85697 LR; RL 4.2.1.84 4.2.1 1 1 7 7 unclassified_unique_ec4 MCSA_57_1_0 57 4.2.1.84 7 add:C~O:=,chg:C~N:#>- Arg56; Cys109; Ser113; Tyr72 Arg56; Cys109; Ser113; Tyr72 Arg56; Cys109; Cys112; Cys114; Ser113; Tyr72; Tyr76 nitrile + water -> aliphatic amide N#CCCl.[H]O[H]>>NC(=O)CCl
215 214 85699 85700; 85701 LR; RL 4.2.1.84 4.2.1 1 1 7 7 unclassified_unique_ec4 MCSA_57_1_0 57 4.2.1.84 7 add:C~O:=,chg:C~N:#>- Arg56; Cys109; Ser113; Tyr72 Arg56; Cys109; Ser113; Tyr72 Arg56; Cys109; Cys112; Cys114; Ser113; Tyr72; Tyr76 nitrile + water -> aliphatic amide *C#N.[H]O[H]>>*C(=O)N([H])[H]
216 215 85703 85704; 85705 LR; RL 4.2.1.84 4.2.1 1 1 7 7 unclassified_unique_ec4 MCSA_57_1_0 57 4.2.1.84 7 add:C~O:=,chg:C~N:#>- Arg56; Cys109; Ser113; Tyr72 Arg56; Cys109; Ser113; Tyr72 Arg56; Cys109; Cys112; Cys114; Ser113; Tyr72; Tyr76 nitrile + water -> aliphatic amide N#CCC1=CN/C2=C\C=C/C=C\12.[H]O[H]>>NC(=O)CC1=CNC2=CC=CC=C12
217 216 85839 85840; 85841 LR; RL 2.4.1.1 2.4.1 1 1 7 7 unclassified_unique_ec4 MCSA_205_1_0 205 2.4.1.1 7 add:C~O:-,del:C~O:- Lys568 Lys568 Arg569; His377; Lys568; Lys574; Lys680; Thr676 alpha-maltose + hydrogenphosphate -> alpha-D-glucose 1-phosphate(2-) + alpha-D-glucose O=C([O-])C1=CC=C(O)C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C1.O=C1C=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]2O)C(=O)N1.[H+]>>O=C([O-])C1=CC(O)=C(O)C=C1.O=C1C=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)C(=O)N1
218 217 26132 26133; 26134 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue [H]C(CO)(CO)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC.[H]O[H]>>OCC(O)CO.CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)[O-].[H+]
219 218 32871 32872; 32873 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue [1*]C(=O)OC(CO)CO.[H]O[H]>>[1*]C(=O)[O-].OCC(O)CO.[H+]
220 219 32875 32876; 32877 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue *C(=O)OC[C@@H](O)CO.[H]O[H]>>OCC(O)CO.*C(=O)[O-].[H+]
221 220 32935 32936; 32937 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue [1*]C(=O)OC[C@H](COP(=O)([O-])OCC(O)COP(=O)([O-])OC[C@@H](COC([3*])=O)OC([4*])=O)OC([2*])=O.[H]O[H]>>[1*]C(=O)OC[C@H](COP(=O)([O-])OCC(O)COP(=O)([O-])OC[C@H](O)COC([3*])=O)OC([2*])=O.*C(=O)[O-].[H+]
222 221 33271 33272; 33273 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue [1*]C(=O)OC[C@H](COC([3*])=O)OC([2*])=O.[H]O[H]>>[1*]C(=O)OC[C@H](CO)OC([2*])=O.*C(=O)[O-].[H+]
223 222 33611 33612; 33613 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue COC(=O)C1=C(O)C=CC=C1.[H]O[H]>>O=C([O-])C1=C(O)C=CC=C1.CO.[H+]
224 223 34019 34020; 34021 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue *C(=O)OCC(O)CO.[H]O[H]>>OCC(O)CO.*C(=O)[O-].[H+]
225 224 34359 34360; 34361 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue [1*]C(=O)OCC(CO)OC([2*])=O.[H]O[H]>>[1*]C(=O)OC(CO)CO.[1*]C(=O)[O-].[H+]
226 225 35667 35668; 35669 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue [1*]C(=O)OCC(COC([3*])=O)OC([2*])=O.[H]O[H]>>[1*]C(=O)OCC(CO)OC([2*])=O.*C(=O)[O-].[H+]
227 226 36367 36368; 36369 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue O=C1CC[C@@H](C(=O)[O-])O1.[H]O[H]>>O=C([O-])CCC(O)C(=O)[O-].[H+]
228 227 38363 38364; 38365 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCCCCCCCCCCCC(=O)OCC(O)CO.[H]O[H]>>CCCCCCCCCCCCCCCCCC(=O)[O-].OCC(O)CO.[H+]
229 228 38379 38380; 38381 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCC/C=C\CCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC.CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[H+]>>CCCCCCCC/C=C\CCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCC/C=C\CCCCCCCC.[H]O[H]
230 229 38383 38384; 38385 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](CO)OC(=O)CCCCCCC/C=C\CCCCCCCC.[H]O[H]>>CCCCCCCC/C=C\CCCCCCCC(=O)OC(CO)CO.CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[H+]
231 230 38387 38388; 38389 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCC/C=C\CCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCC/C=C\CCCCCCCC.[H]O[H]>>CCCCCCCC/C=C\CCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC/C=C\CCCCCCCC.CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[H+]
232 231 38391 38392; 38393 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCC/C=C\CCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCC/C=C\CCCCCCCC.[H]O[H]>>CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](CO)OC(=O)CCCCCCC/C=C\CCCCCCCC.CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[H+]
233 232 38395 38396; 38397 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCC/C=C\CCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C\CCCCCC)OC(=O)CCCCCCC/C=C\CCCCCC.[H]O[H]>>CCCCCC/C=C\CCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC/C=C\CCCCCC.CCCCCC/C=C\CCCCCCCC(=O)[O-].[H+]
234 233 38399 38400; 38401 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCC/C=C\CCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C\CCCCCC)OC(=O)CCCCCCC/C=C\CCCCCC.[H]O[H]>>CCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](CO)OC(=O)CCCCCCC/C=C\CCCCCC.CCCCCC/C=C\CCCCCCCC(=O)[O-].[H+]
235 234 38403 38404; 38405 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC.[H]O[H]>>CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC/C=C\C/C=C\CCCCC.CCCCC/C=C\C/C=C\CCCCCCCC(=O)[O-].[H+]
236 235 38407 38408; 38409 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC.[H]O[H]>>CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](CO)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC.CCCCC/C=C\C/C=C\CCCCCCCC(=O)[O-].[H+]
237 236 38411 38412; 38413 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC.[H]O[H]>>CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC.CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)[O-].[H+]
238 237 38415 38416; 38417 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC.[H]O[H]>>CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](CO)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC.CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)[O-].[H+]
239 238 38419 38420; 38421 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCC/C=C\CCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC.[H]O[H]>>CCCCCCCC/C=C\CCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC/C=C\CCCCCCCC.CCCCCCCCCCCCCCCC(=O)[O-].[H+]
240 239 38423 38424; 38425 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC/C=C\CCCCCCCC.[H]O[H]>>CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COC(=O)CCCCCCCCCCCCCCC.CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[H+]
241 240 38427 38428; 38429 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC/C=C\CCCCCCCC.[H]O[H]>>CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](CO)OC(=O)CCCCCCC/C=C\CCCCCCCC.CCCCCCCCCCCCCCCC(=O)[O-].[H+]
242 241 38431 38432; 38433 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCC/C=C\CCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCCCCCCCCCC.[H]O[H]>>CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](CO)OC(=O)CCCCCCCCCCCCCCC.CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[H+]
243 242 38483 38484; 38485 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue [1*]C(=O)OC[C@@H](CO)OC([2*])=O.[H]O[H]>>[1*]C(=O)OC(CO)CO.*C(=O)[O-].[H+]
244 243 38487 38488; 38489 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCC/C=C\CCCCCCCC(=O)OCC(O)CO.[H]O[H]>>OCC(O)CO.CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[H+]
245 244 38491 38492; 38493 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCC/C=C\CCCCCCCC(=O)OC(CO)CO.[H]O[H]>>OCC(O)CO.CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[H+]
246 245 38495 38496; 38497 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue [1*]C(=O)OCC(COC([3*])=O)OC([2*])=O.[H]O[H]>>[1*]C(=O)OCC(O)COC([2*])=O.*C(=O)[O-].[H+]
247 246 38499 38500; 38501 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue [1*]C(=O)OC[C@H](COC([3*])=O)OC([2*])=O.[H]O[H]>>[1*]C(=O)OC[C@@H](CO)OC([2*])=O.*C(=O)[O-].[H+]
248 247 38503 38504; 38505 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue [1*]C(=O)OC[C@@H](O)COC([2*])=O.[H]O[H]>>*C(=O)OC[C@@H](O)CO.*C(=O)[O-].[H+]
249 248 38507 38508; 38509 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCCCCCC.[H]O[H]>>[H]C(CO)(CO)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC.CCCCCCCCCCCCCCCCCC(=O)[O-].[H+]
250 249 38511 38512; 38513 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\CCCCCCCC.[H]O[H]>>CCCCCCCC/C=C\CCCCCCCC(=O)OC(CO)CO.CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[H+]
251 250 38515 38516; 38517 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\CCCCCCCC.[H]O[H]>>[H]C(CO)(CO)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC.CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[H+]
252 251 38519 38520; 38521 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCCCCCC.[H]O[H]>>CCCCCCCCCCCCCCCCCC(=O)OC(CO)CO.CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[H+]
253 252 38523 38524; 38525 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCC/C=C\CCCCCCCC.[H]O[H]>>CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC(CO)CO.CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[H+]
254 253 38527 38528; 38529 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCO[C@@H](CO)COC(=O)CCCCCCC/C=C\CCCCCCCC.[H]O[H]>>CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCOC(CO)CO.CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[H+]
255 254 38595 38596; 38597 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCC/C=C\CCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC/C=C\CCCCCCCC.[H]O[H]>>CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)CO.CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[H+]
256 255 38643 38644; 38645 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC/C=C\CCCCCCCC.[H]O[H]>>CCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](CO)COC(=O)CCCCCCCCCCCCCCC.CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[H+]
257 256 38647 38648; 38649 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC/C=C\CCCCCCCC.[H]O[H]>>CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](O)COC(=O)CCCCCCCCCCCCCCC.CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[H+]
258 257 38651 38652; 38653 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCC/C=C\CCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC/C=C\CCCCCCCC.[H]O[H]>>CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](O)CO.CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[H+]
259 258 38659 38660; 38661 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCC/C=C\CCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCC/C=C\CCCCCCCC.[H]O[H]>>CCCCCCCC/C=C\CCCCCCCC(=O)OC(CO)CO.CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[H+]
260 259 39723 39724; 39725 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue [1*]C(=O)OC[C@H](CO)OC([2*])=O>>[1*]C(=O)OC[C@H](CO)OC([2*])=O
261 260 39931 39932; 39933 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCC/C=C\CCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCC/C=C\CCCCCCCC.[H]O[H]>>CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\CCCCCCCC.CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[H+]
262 261 39939 39940; 39941 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCC/C=C\CCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC/C=C\CCCCCCCC.[H]O[H]>>CCCCCCCC/C=C\CCCCCCCC(=O)OCC(O)CO.CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[H+]
263 262 39959 39960; 39961 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCCCCCCCCCC(=O)OCC(O)CO.[H]O[H]>>OCC(O)CO.CCCCCCCCCCCCCCCC(=O)[O-].[H+]
264 263 39963 39964; 39965 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCCCCCCCCCC(=O)OC(CO)CO.[H]O[H]>>OCC(O)CO.CCCCCCCCCCCCCCCC(=O)[O-].[H+]
265 264 40047 40048; 40049 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCC(=O)OCC(COC(=O)CCCCCCC)OC(=O)CCCCCCC.[H]O[H]>>CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC.CCCCCCCC(=O)[O-].[H+]
266 265 40055 40056; 40057 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCC(=O)OCC(COC(=O)CCCCCCC)OC(=O)CCCCCCC.[H]O[H]>>[H][C@@](CO)(COC(=O)CCCCCCC)OC(=O)CCCCCCC.CCCCCCCC(=O)[O-].[H+]
267 266 40603 40604; 40605 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@@H](O)CO.[H]O[H]>>CCCCC/C=C\C/C=C\CCCCCCCC(=O)[O-].OCC(O)CO.[H+]
268 267 40607 40608; 40609 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCCCCCCCC(=O)OC[C@@H](O)CO.[H]O[H]>>CCCCCCCCCCCCCC(=O)[O-].OCC(O)CO.[H+]
269 268 40611 40612; 40613 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCC(=O)OCC(COC(=O)CCCCC)OC(=O)CCCCC.[H]O[H]>>CCCCCC(=O)OC[C@@H](CO)OC(=O)CCCCC.CCCCCC(=O)[O-].[H+]
270 269 40615 40616; 40617 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCC)OC(=O)CCCCCCCCC.[H]O[H]>>CCCCCCCCCC(=O)OC[C@@H](CO)OC(=O)CCCCCCCCC.CCCCCCCCCC(=O)[O-].[H+]
271 270 40619 40620; 40621 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCC.[H]O[H]>>CCCCCCCCCCCC(=O)OC[C@@H](CO)OC(=O)CCCCCCCCCCC.CCCCCCCCCCCC(=O)[O-].[H+]
272 271 40623 40624; 40625 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC.[H]O[H]>>CCCCCCCCCCCCCC(=O)OC[C@@H](CO)OC(=O)CCCCCCCCCCCCC.CCCCCCCCCCCCCC(=O)[O-].[H+]
273 272 40627 40628; 40629 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC.[H]O[H]>>CCCCCCCCCCCCCCCC(=O)OC[C@@H](CO)OC(=O)CCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCC(=O)[O-].[H+]
274 273 40631 40632; 40633 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC.[H]O[H]>>CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](CO)OC(=O)CCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCCC(=O)[O-].[H+]
275 274 40635 40636; 40637 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCC/C=C\CCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC.[H]O[H]>>CCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](CO)COC(=O)CCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCC(=O)[O-].[H+]
276 275 40979 40980; 40981 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCC/C=C\CCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC.[H]O[H]>>CCCCCCCC/C=C\CCCCCCCC(=O)OC(CO)COC(=O)CCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCC(=O)[O-].[H+]
277 276 40983 40984; 40985 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCC/C=C\CCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC.[H]O[H]>>CCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCCCCCC.CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[H+]
278 277 41103 41104; 41105 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC.[H]O[H]>>CCCCCCCCCCCCCCCCCC(=O)OC[C@H](O)COC(=O)CCCCCCCCCCCCCCC.CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[H+]
279 278 41107 41108; 41109 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC.[H]O[H]>>CCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](CO)COC(=O)CCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCC(=O)[O-].[H+]
280 279 41111 41112; 41113 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC.[H]O[H]>>CCCCCCCC/C=C\CCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCCC(=O)[O-].[H+]
281 280 42480 42481; 42482 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue O=C(/C=C\C=C(\O)C(=O)[O-])OC1=C(O)C=CC=C1.[H]O[H]>>O=C([O-])/C=C/C=C(\O)C(=O)[O-].OC1=C(O)C=CC=C1.[H+]
282 281 42516 42517; 42518 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue [H][C@]1([C@@H](O)CO)OC(=O)[C@@H](O)[C@H]1O.[H]O[H]>>O=C([O-])[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO.[H+]
283 282 43732 43733; 43734 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue [1*]C(=O)OC[C@H](COC([3*])=O)OC([2*])=O.[H]O[H]>>[1*]C(=O)OC[C@@H](O)COC([2*])=O.*C(=O)[O-].[H+]
284 283 44312 44313; 44314 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCCCCCCCC(=O)OCC(O)CO.[H]O[H]>>CCCCCCCCCCCCCC(=O)[O-].OCC(O)CO.[H+]
285 284 44316 44317; 44318 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCCCCCC(=O)OCC(O)CO.[H]O[H]>>CCCCCCCCCCCC(=O)[O-].OCC(O)CO.[H+]
286 285 44320 44321; 44322 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCCCC(=O)OCC(O)CO.[H]O[H]>>CCCCCCCCCC(=O)[O-].OCC(O)CO.[H+]
287 286 44324 44325; 44326 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCC(=O)OCC(O)CO.[H]O[H]>>CCCC(=O)[O-].OCC(O)CO.[H+]
288 287 44328 44329; 44330 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCC(=O)OCC(O)CO.[H]O[H]>>CCCCCCCC(=O)[O-].OCC(O)CO.[H+]
289 288 44616 44617; 44618 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue [1*]C(=O)OC[C@H](COP(=O)([O-])OCC(O)COP(=O)([O-])OC[C@H](O)COC([3*])=O)OC([2*])=O.[H]O[H]>>*C(=O)OC[C@@H](O)COP(=O)([O-])OCC(O)COP(=O)([O-])OC[C@H](O)COC(*)=O.*C(=O)[O-].[H+]
290 289 44688 44689; 44690 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue [1*]C(=O)OC(CO)CO.[H]O[H]>>OCC(O)CO.*C(=O)[O-].[H+]
291 290 44728 44729; 44730 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OCC(O)CO.[H]O[H]>>OCC(O)CO.CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)[O-].[H+]
292 291 44732 44733; 44734 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCC/C=C\C/C=C\CCCCCCCC(=O)OC(CO)CO.[H]O[H]>>CCCCC/C=C\C/C=C\CCCCCCCC(=O)[O-].OCC(O)CO.[H+]
293 292 44864 44865; 44866 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue [1*]C(=O)OC[C@H](COC([3*])=O)OC([2*])=O.[H]O[H]>>[1*]C(=O)OCC(CO)OC([2*])=O.*C(=O)[O-].[H+]
294 293 44876 44877; 44878 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue [1*]C(=O)OCC(O)COC([2*])=O.[H]O[H]>>*C(=O)OC[C@H](O)CO.*C(=O)[O-].[H+]
295 294 44940 44941; 44942 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue *OC[C@H](COC(*)=O)OC(*)=O.[H]O[H]>>[1*]OC[C@@H](O)COC([3*])=O.*C(=O)[O-].[H+]
296 295 44944 44945; 44946 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue [1*]OC[C@@H](O)COC([3*])=O.[H]O[H]>>*OC[C@@H](O)CO.*C(=O)[O-].[H+]
297 296 44948 44949; 44950 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue *OC[C@H](COC(*)=O)OC(*)=O.[H]O[H]>>*C(=O)O[C@@H](CO)CO[1*].*C(=O)[O-].[H+]
298 297 45412 45413; 45414 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCC[C@H](O)/C=C/[C@H]1C(=O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)OCC(O)CO.[H]O[H]>>CCCCC[C@H](O)/C=C/[C@H]1C(=O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)[O-].OCC(O)CO.[H+]
299 298 45416 45417; 45418 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCC/C=C/C=C1/C(=O)C=C[C@@H]1C/C=C\CCCC(=O)OC(CO)CO.[H]O[H]>>CCCCC/C=C/C=C1/C(=O)C=C[C@@H]1C/C=C\CCCC(=O)[O-].OCC(O)CO.[H+]
300 299 47072 47073; 47074 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCCCCCCCCCCCCCC(=O)OCC(O)CO.[H]O[H]>>CCCCCCCCCCCCCCCCCCCC(=O)[O-].OCC(O)CO.[H+]
301 300 47384 47385; 47386 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CC(=O)OC1=CC=C(O)C=C1.[H]O[H]>>OC1=CC=C(O)C=C1.CC(=O)[O-].[H+]
302 301 47868 47869; 47870 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue [1*]OCC(COC(=O)CCCCCCC/C=C\CCCCCCCC)O[2*].[H]O[H]>>*OCC(CO)O*.CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[H+]
303 302 47880 47881; 47882 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue [1*]OCC(COC(=O)CCCCCCC)O[2*].[H]O[H]>>*OCC(CO)O*.CCCCCCCC(=O)[O-].[H+]
304 303 48296 48297; 48298 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)OCC(O)CO.[H]O[H]>>CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)[O-].OCC(O)CO.[H+]
305 304 48300 48301; 48302 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)OCC(O)CO)[C@@H](O)C[C@H]1O.[H]O[H]>>CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)[O-])[C@@H](O)C[C@H]1O.OCC(O)CO.[H+]
306 305 48428 48429; 48430 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCC(O)CO.[H]O[H]>>CCCCC/C=C\C/C=C\CCCCCCCC(=O)[O-].OCC(O)CO.[H+]
307 306 48440 48441; 48442 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue [1*]C(=O)OC[C@H](CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)OC([2*])=O.[H]O[H]>>[2*]C(=O)O[C@H](CO)CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O.*C(=O)[O-].[H+]
308 307 48444 48445; 48446 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue *C(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(*)=O.[H]O[H]>>[1*]C(=O)O[C@H](CO)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O.*C(=O)[O-].[H+]
309 308 48456 48457; 48458 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC.[H]O[H]>>CCCCCCCC(=O)O[C@H](CO)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O.CCCCCCCC(=O)[O-].[H+]
310 309 48460 48461; 48462 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC.[H]O[H]>>CCCCCCCC(=O)O[C@H](CO)CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O.CCCCCCCC(=O)[O-].[H+]
311 310 48552 48553; 48554 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CC/C=C\C/C=C\C/C=C\CCCCCC(=O)O[C@H](COC(=O)CCCCCCC[C@H]1C=CC(=O)[C@H]1C/C=C\CC)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O.[H]O[H]>>CC/C=C\C/C=C\C/C=C\CCCCCC(=O)O[C@H](CO)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O.CC/C=C\C[C@@H]1C(=O)C=C[C@@H]1CCCCCCCC(=O)[O-].[H+]
312 311 49264 49265; 49266 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue O=C(/C=C/C1=CC=C(O)C(O)=C1)O[C@@H]1CC(C(=O)[O-])=C[C@@H](O)[C@H]1O.[H]O[H]>>O=C([O-])C1=C[C@@H](O)[C@@H](O)[C@H](O)C1.O=C([O-])/C=C/C1=CC(O)=C(O)C=C1.[H+]
313 312 50132 50133; 50134 LR; RL 4.2.1.3 4.2.1 2 1 7 7 unclassified_unique_ec4 MCSA_552_1_0 552 4.2.1.3 7 add:C~O:-,del:C~O:- His101; Ser642 His101; Ser642 Arg447; Arg644; Asp100; Asp165; His101; Ser642 isocitrate(3-) -> citrate(3-) CCCCCCCCCCCCCCCC(=O)OCC.[H]O[H]>>CCO.CCCCCCCCCCCCCCCC(=O)[O-].[H+]
314 313 50136 50137; 50138 LR; RL 4.2.1.3 4.2.1 2 1 7 7 unclassified_unique_ec4 MCSA_552_1_0 552 4.2.1.3 7 add:C~O:-,del:C~O:- His101; Ser642 His101; Ser642 Arg447; Arg644; Asp100; Asp165; His101; Ser642 isocitrate(3-) -> citrate(3-) CCCCCCCC/C=C\CCCCCCCC(=O)OCC.[H]O[H]>>CCO.CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[H+]
315 314 50144 50145; 50146 LR; RL 4.2.1.3 4.2.1 2 1 7 7 unclassified_unique_ec4 MCSA_552_1_0 552 4.2.1.3 7 add:C~O:-,del:C~O:- His101; Ser642 His101; Ser642 Arg447; Arg644; Asp100; Asp165; His101; Ser642 isocitrate(3-) -> citrate(3-) CCCCCC/C=C\CCCCCCCC(=O)OCC.[H]O[H]>>CCCCCC/C=C\CCCCCCCC(=O)[O-].CCO.[H+]
316 315 50148 50149; 50150 LR; RL 4.2.1.3 4.2.1 2 1 7 7 unclassified_unique_ec4 MCSA_552_1_0 552 4.2.1.3 7 add:C~O:-,del:C~O:- His101; Ser642 His101; Ser642 Arg447; Arg644; Asp100; Asp165; His101; Ser642 isocitrate(3-) -> citrate(3-) *C(=O)OCC.[H]O[H]>>CCO.*C(=O)[O-].[H+]
317 316 50316 50317; 50318 LR; RL 4.2.1.3 4.2.1 2 1 7 7 unclassified_unique_ec4 MCSA_552_1_0 552 4.2.1.3 7 add:C~O:-,del:C~O:- His101; Ser642 His101; Ser642 Arg447; Arg644; Asp100; Asp165; His101; Ser642 isocitrate(3-) -> citrate(3-) CCCCCCCCCCCCCCCCCC(=O)OCC.[H]O[H]>>CCO.CCCCCCCCCCCCCCCCCC(=O)[O-].[H+]
318 317 52048 52049; 52050 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCC/C=C\CCCCCCCC(=O)OC(CCCCCCCCC)CCCCCCCC(=O)[O-].[H]O[H]>>CCCCCCCCCC(O)CCCCCCCC(=O)[O-].CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[H+]
319 318 52052 52053; 52054 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCCCCCCCCCC(=O)OC(CCCCCCCCC)CCCCCCCC(=O)[O-].[H]O[H]>>CCCCCCCCCC(O)CCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC(=O)[O-].[H+]
320 319 52056 52057; 52058 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCCCCCCCCCC(=O)OC(CCCCCC)CCCCCCCCCCC(=O)[O-].[H]O[H]>>CCCCCCC(O)CCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC(=O)[O-].[H+]
321 320 52060 52061; 52062 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCC/C=C\CCCCCCCC(=O)OC(CCCCCC)CCCCCCCCCCC(=O)[O-].[H]O[H]>>CCCCCCC(O)CCCCCCCCCCC(=O)[O-].CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[H+]
322 321 52064 52065; 52066 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCC/C=C\CCCCCCCC(=O)OC(CCCCC)CCCCCCCCCCCC(=O)[O-].[H]O[H]>>CCCCCC(O)CCCCCCCCCCCC(=O)[O-].CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[H+]
323 322 52068 52069; 52070 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCC/C=C\CCCCCCCC(=O)OC(CCCCCCCCC)CCCCCCCC(=O)[O-].[H]O[H]>>CCCCCC/C=C\CCCCCCCC(=O)[O-].CCCCCCCCCC(O)CCCCCCCC(=O)[O-].[H+]
324 323 52072 52073; 52074 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCC/C=C\CCCCCCCC(=O)OC(CCCCCC)CCCCCCCCCCC(=O)[O-].[H]O[H]>>CCCCCCC(O)CCCCCCCCCCC(=O)[O-].CCCCCC/C=C\CCCCCCCC(=O)[O-].[H+]
325 324 52076 52077; 52078 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCC/C=C\CCCCCCCC(=O)OC(CCCCC)CCCCCCCCCCCC(=O)[O-].[H]O[H]>>CCCCCC(O)CCCCCCCCCCCC(=O)[O-].CCCCCC/C=C\CCCCCCCC(=O)[O-].[H+]
326 325 52080 52081; 52082 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCCCCCCCCCCCC(=O)OC(CCCCCC)CCCCCCCCCCC(=O)[O-].[H]O[H]>>CCCCCCC(O)CCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[H+]
327 326 52084 52085; 52086 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCCCCCCCCCCCC(=O)OC(CCCCC)CCCCCCCCCCCC(=O)[O-].[H]O[H]>>CCCCCC(O)CCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[H+]
328 327 52092 52093; 52094 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCC/C=C\CCCCCCCC(=O)OC(CCCCCCCCCCCCC)CCCC(=O)[O-].[H]O[H]>>CCCCCCCCCCCCCC(O)CCCC(=O)[O-].CCCCCC/C=C\CCCCCCCC(=O)[O-].[H+]
329 328 52096 52097; 52098 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCCCCCCCCCCCC(=O)OC(CCCCCCCCC)CCCCCCCC(=O)[O-].[H]O[H]>>CCCCCCCCCC(O)CCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[H+]
330 329 52100 52101; 52102 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCC/C=C\CCCCCCCC(=O)OC(CCCCCCCCCCCCC)CCCC(=O)[O-].[H]O[H]>>CCCCCCCCCCCCCC(O)CCCC(=O)[O-].CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[H+]
331 330 55372 55373; 55374 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CC/C=C\C[C@H]1C(=O)CC[C@@H]1CC(=O)OC.[H]O[H]>>CC/C=C\C[C@H]1C(=O)CC[C@@H]1CC(=O)[O-].CO.[H+]
332 331 58020 58021; 58022 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue C=C(C(=O)[O-])[C@H]1[C@H](O)/C=C(\C)CC/C=C(\C)C[C@H]1O.[H+]>>[H][C@@]12/C=C(\C)CC/C=C(\C)C[C@@H](O)[C@@]1([H])C(=C)C(=O)O2.[H]O[H]
333 332 58040 58041; 58042 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OCC(O)CO.[H]O[H]>>CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)[O-].OCC(O)CO.[H+]
334 333 58076 58077; 58078 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCC/C=C\CCCCCCCCCC(=O)OCC(O)CO.[H]O[H]>>CCCCCCCC/C=C\CCCCCCCCCC(=O)[O-].OCC(O)CO.[H+]
335 334 58080 58081; 58082 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)CO.[H]O[H]>>CCCCCCCCCCCCCCCCCCCCCC(=O)[O-].OCC(O)CO.[H+]
336 335 58084 58085; 58086 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCC/C=C\CCCCCCCCCCCC(=O)OCC(O)CO.[H]O[H]>>CCCCCCCC/C=C\CCCCCCCCCCCC(=O)[O-].OCC(O)CO.[H+]
337 336 58088 58089; 58090 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)OCC(O)CO.[H]O[H]>>CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)[O-].OCC(O)CO.[H+]
338 337 58092 58093; 58094 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OCC(O)CO.[H]O[H]>>CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)[O-].OCC(O)CO.[H+]
339 338 58096 58097; 58098 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)CO.[H]O[H]>>CCCCCCCCCCCCCCCCCCCCCCCC(=O)[O-].OCC(O)CO.[H+]
340 339 58100 58101; 58102 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)OCC(O)CO.[H]O[H]>>CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)[O-].OCC(O)CO.[H+]
341 340 59308 59309; 59310 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue O=C1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O.[H]O[H]>>O=C([O-])[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO.[H+]
342 341 59320 59321; 59322 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue O=C1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O.[H]O[H]>>O=C([O-])[C@H](O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)CO.[H+]
343 342 59348 59349; 59350 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue O=C1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O.[H]O[H]>>O=C([O-])[C@H](O)[C@@H](O)[C@H](O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)CO.[H+]
344 343 59356 59357; 59358 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue O=C1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O.[H]O[H]>>O=C([O-])[C@H](O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)CO.[H+]
345 344 59644 59645; 59646 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue O=C1OC[C@@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O.[H]O[H]>>O=C([O-])[C@H](O)[C@@H](O)[C@@H](CO)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O.[H+]
346 345 59648 59649; 59650 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue O=C1OC[C@@H](O[C@@H]2OC[C@@H](O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O.[H]O[H]>>O=C([O-])[C@H](O)[C@@H](O)[C@@H](CO)O[C@@H]1OC[C@@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O.[H+]
347 346 59652 59653; 59654 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue O=C1OC[C@@H](O[C@@H]2OC[C@@H](O[C@@H]3OC[C@@H](O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O.[H]O[H]>>O=C([O-])[C@H](O)[C@@H](O)[C@@H](CO)O[C@@H]1OC[C@@H](O[C@@H]2OC[C@@H](O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O.[H+]
348 347 59692 59693; 59694 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue O=C1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O.[H]O[H]>>O=C([O-])[C@H](O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CO.[H+]
349 348 59696 59697; 59698 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue O=C1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O.[H]O[H]>>O=C([O-])[C@H](O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CO.[H+]
350 349 59700 59701; 59702 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue O=C1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O.[H]O[H]>>O=C([O-])[C@H](O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CO.[H+]
351 350 59704 59705; 59706 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue O=C1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O.[H]O[H]>>O=C([O-])[C@H](O)[C@@H](O)[C@H](O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CO.[H+]
352 351 59708 59709; 59710 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue O=C1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O.[H]O[H]>>O=C([O-])[C@H](O)[C@@H](O)[C@H](O[C@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CO.[H+]
353 352 59712 59713; 59714 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue O=C1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O.[H]O[H]>>O=C([O-])[C@H](O)[C@@H](O)[C@H](O[C@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CO.[H+]
354 353 59716 59717; 59718 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue O=C1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O.[H]O[H]>>O=C([O-])[C@H](O)[C@@H](O)[C@H](O[C@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CO.[H+]
355 354 59720 59721; 59722 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue O=C1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O[C@H]5O[C@H](CO)[C@@H](O[C@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O.[H]O[H]>>O=C([O-])[C@H](O)[C@@H](O)[C@H](O[C@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CO.[H+]
356 355 59724 59725; 59726 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue O=C1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O[C@H]5O[C@H](CO)[C@@H](O[C@H]6O[C@H](CO)[C@@H](O[C@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O.[H]O[H]>>O=C([O-])[C@H](O)[C@@H](O)[C@H](O[C@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O[C@H]5O[C@H](CO)[C@@H](O[C@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)CO.[H+]
357 356 62744 62745; 62746 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue [H][C@@]12C(=CCC[C@@H]1OC(=O)[C@@H](C)CC)/C=C\[C@H](C)[C@@H]2CC[C@@H]1C[C@@H](O)CC(=O)O1.[H]O[H]>>[H][C@@]12C(=CCC[C@@H]1O)C=C[C@H](C)[C@@H]2CC[C@@H]1C[C@@H](O)CC(=O)O1.CC[C@H](C)C(=O)[O-].[H+]
358 357 62748 62749; 62750 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue [H][C@@]12C(=C[C@H](C)C[C@@H]1OC(=O)[C@@H](C)CC)/C=C\[C@H](C)[C@@H]2CC[C@@H]1C[C@@H](O)CC(=O)O1.[H]O[H]>>[H][C@@]12C(=C[C@H](C)C[C@@H]1O)/C=C\[C@H](C)[C@@H]2CC[C@@H]1C[C@@H](O)CC(=O)O1.CC[C@H](C)C(=O)[O-].[H+]
359 358 62752 62753; 62754 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue [H][C@@]12C(=C[C@@H](O)C[C@@H]1OC(=O)[C@@H](C)CC)/C=C\[C@H](C)[C@@H]2CC[C@@H]1C[C@@H](O)CC(=O)O1.[H]O[H]>>[H][C@@]12C(=C[C@@H](O)C[C@@H]1O)/C=C\[C@H](C)[C@@H]2CC[C@@H]1C[C@@H](O)CC(=O)O1.CC[C@H](C)C(=O)[O-].[H+]
360 359 63040 63041; 63042 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue [H][C@@]12C(=C[C@H](C)C[C@@H]1OC(=O)[C@@H](C)CC)/C=C\[C@H](C)[C@@H]2CC[C@@H]1C[C@@H](O)CC(=O)O1.[H]O[H]>>[H][C@@]12C(=C[C@H](C)C[C@@H]1OC(=O)[C@@H](C)CC)/C=C\[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[H+]
361 360 63044 63045; 63046 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue [H][C@@]12C(=CCC[C@@H]1OC(=O)[C@@H](C)CC)/C=C\[C@H](C)[C@@H]2CC[C@@H]1C[C@@H](O)CC(=O)O1.[H]O[H]>>[H][C@@]12C(=CCC[C@@H]1OC(=O)[C@@H](C)CC)/C=C\[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[H+]
362 361 63048 63049; 63050 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue [H][C@@]12C(=C[C@@H](O)C[C@@H]1OC(=O)[C@@H](C)CC)/C=C\[C@H](C)[C@@H]2CC[C@@H]1C[C@@H](O)CC(=O)O1.[H]O[H]>>[H][C@@]12C(=C[C@@H](O)C[C@@H]1OC(=O)[C@@H](C)CC)/C=C\[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(=O)[O-].[H+]
363 362 63432 63433; 63434 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OCC(COC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC.[H]O[H]>>CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OCC(CO)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC.CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)[O-].[H+]
364 363 63436 63437; 63438 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OCC(COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC.[H]O[H]>>CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OCC(CO)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC.CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)[O-].[H+]
365 364 66672 66673; 66674 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CC1=C(O)C=C(O)C(C(=O)[O-])=C1CO.[H+]>>C/C1=C(O)/C=C(/O)C2=C1COC2=O.[H]O[H]
366 365 67272 67273; 67274 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue [1*]C(=O)OC[C@H](COP(=O)([O-])OCC(O)COP(=O)([O-])OC[C@@H](COC([3*])=O)OC([2*])=O)OC(=O)CCCCCCCC(O)/C=C/C=C\CCCCC.[H]O[H]>>CCCCC/C=C\C=C\C(O)CCCCCCCC(=O)[O-].[1*]C(=O)OC[C@H](COP(=O)([O-])OCC(O)COP(=O)([O-])OC[C@H](O)COC([3*])=O)OC([2*])=O.[H+]
367 366 67788 67789; 67790 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue [1*]C(=O)OC[C@H](COP(=O)([O-])OCC(O)COP(=O)([O-])OC[C@H](O)COC([3*])=O)OC([2*])=O.[1*]C(=O)OC[C@H](COP(=O)([O-])OCC(O)COP(=O)([O-])OC[C@H](O)COC([3*])=O)OC([2*])=O>>*C(=O)OC[C@@H](O)COP(=O)([O-])OCC(O)COP(=O)([O-])OC[C@H](O)COC(*)=O.[1*]C(=O)OC[C@H](COP(=O)([O-])OCC(O)COP(=O)([O-])OC[C@@H](COC([3*])=O)OC([4*])=O)OC([2*])=O
368 367 70299 70300; 70301 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue O=C1O[C-]([C@@H](O)CO)C(=O)C1=O.[H]O[H]>>O=C([O-])C(=O)C(=O)[C@H](O)[C@@H](O)CO
369 368 70335 70336; 70337 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue O=C([O-])C1(O)C(=O)O[C@@H](CO)[C@H]1O.[H]O[H]>>O=C([O-])C(O)(C(=O)[O-])[C@H](O)[C@@H](O)CO.[H+]
370 369 73967 73968; 73969 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O.[H]O[H]>>CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](CO)COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O.CCCCCCCCCCCCCCCCCC(=O)[O-].[H+]
371 370 75027 75028; 75029 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCC/C=C\CCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C\CCCCCC)OC(=O)CCCCCCC/C=C\CCCCCC.CCCCCCCCCC(O)CCCCCCCC(=O)[O-]>>CCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](CO)OC(=O)CCCCCCC/C=C\CCCCCC.CCCCCC/C=C\CCCCCCCC(=O)OC(CCCCCCCCC)CCCCCCCC(=O)[O-]
372 371 75031 75032; 75033 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCCCC(O)CCCCCCCC(=O)[O-].CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC/C=C\CCCCCCCC>>CCCCCCCC/C=C\CCCCCCCC(=O)OC(CCCCCCCCC)CCCCCCCC(=O)[O-].CCCCCCCC/C=C\CCCCCCCC(=O)OC(CO)CO
373 372 75235 75236; 75237 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue C[C@@H]1OC(=O)[C@@H](O)[C@H](O)[C@@H]1O>>[H][C@]1([C@H](C)O)OC(=O)[C@@H](O)[C@@H]1O
374 373 76971 76972; 76973 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O.[H]O[H]>>CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)O[C@H](CO)COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O.CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[H+]
375 374 76975 76976; 76977 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O.[H]O[H]>>CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](CO)COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O.CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[H+]
376 375 76983 76984; 76985 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O.[H]O[H]>>CCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)O[C@H](CO)COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O.CCCCCCCC/C=C\CCCCCCCC(=O)[O-].[H+]
377 376 77103 77104; 77105 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCC/C=C\CCCCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCCCCCC.[H]O[H]>>CCCCCCCC/C=C\CCCCCCCC(=O)OC(CO)CO.CCCCCCCCCCCCCCCCCC(=O)[O-].[H+]
378 377 77107 77108; 77109 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCCCCCC.[H]O[H]>>CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC(CO)CO.CCCCCCCCCCCCCCCCCC(=O)[O-].[H+]
379 378 77599 77600; 77601 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OC[C@@H](O)CO.CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OC[C@@H](O)CO>>CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OC[C@@H](O)COC(=O)CCCCCCC/C=C\CCCCCCCC.O=P([O-])(OC[C@H](O)CO)OC[C@@H](O)CO
380 379 77603 77604; 77605 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OC[C@@H](O)CO.CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OC[C@@H](O)CO>>CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OC[C@@H](O)COC(=O)CCCCCCCCCCCCCCCCC.O=P([O-])(OC[C@H](O)CO)OC[C@@H](O)CO
381 380 77607 77608; 77609 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OC[C@@H](O)CO.CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OC[C@@H](O)CO>>CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OC[C@@H](O)COC(=O)CCCCCCCCCCCCCCC.O=P([O-])(OC[C@H](O)CO)OC[C@@H](O)CO
382 381 77611 77612; 77613 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OC[C@@H](O)CO.CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OC[C@@H](O)CO>>CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OC[C@@H](O)COC(=O)CCCCCCCCCCCCC.O=P([O-])(OC[C@H](O)CO)OC[C@@H](O)CO
383 382 77619 77620; 77621 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue *C(=O)OC[C@@H](O)COP(=O)([O-])OC[C@@H](O)CO.*C(=O)OC[C@@H](O)COP(=O)([O-])OC[C@@H](O)CO>>[1*]C(=O)OC[C@H](O)COP(=O)([O-])OC[C@H](O)COC([2*])=O.O=P([O-])(OC[C@H](O)CO)OC[C@@H](O)CO
384 383 77943 77944; 77945 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCC/C=C\CCCCCCCC(=O)OCC(COC(=O)CCCCCCC/C=C\CCCCCC)OC(=O)CCCCCCC/C=C\CCCCCC.CCCCCCCCCC(O)CCCCCCCC(=O)[O-]>>CCCCCC/C=C\CCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC/C=C\CCCCCC.CCCCCC/C=C\CCCCCCCC(=O)OC(CCCCCCCCC)CCCCCCCC(=O)[O-]
385 384 77959 77960; 77961 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue [1*]C(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC([2*])=O.[1*]C(=O)OCC(CO)OC([2*])=O>>*C(=O)O[C@H](CO)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O.[1*]C(=O)OCC(COC([3*])=O)OC([2*])=O
386 385 77983 77984; 77985 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCCCC(O)CCCCCCCC(=O)[O-].[1*]C(=O)OCC(COC([3*])=O)OC([2*])=O>>*C(=O)OC(CCCCCCCCC)CCCCCCCC(=O)[O-].[1*]C(=O)OC[C@@H](CO)OC([2*])=O
387 386 77987 77988; 77989 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCCCC(O)CCCCCCCC(=O)[O-].[1*]C(=O)OCC(COC([3*])=O)OC([2*])=O>>*C(=O)OC(CCCCCCCCC)CCCCCCCC(=O)[O-].[1*]C(=O)OCC(O)COC([2*])=O
388 387 77995 77996; 77997 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCCCC(O)CCCCCCCC(=O)[O-].[1*]C(=O)OC[C@H](CO)OC([2*])=O>>*C(=O)OC(CCCCCCCCC)CCCCCCCC(=O)[O-].[1*]C(=O)OC(CO)CO
389 388 77999 78000; 78001 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue [1*]C(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC([2*])=O.[1*]C(=O)OCC(CO)OC([2*])=O>>[1*]C(=O)OC[C@@H](O)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O.[1*]C(=O)OCC(COC([3*])=O)OC([2*])=O
390 389 78015 78016; 78017 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue [1*]C(=O)OCC(CO)OC([2*])=O.[H]O[H]>>[1*]C(=O)OC(CO)CO.*C(=O)[O-].[H+]
391 390 78019 78020; 78021 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue [1*]C(=O)OCC(O)COC([2*])=O.[H]O[H]>>*C(=O)OCC(O)CO.*C(=O)[O-].[H+]
392 391 78063 78064; 78065 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue [1*]C(=O)OCC(COC([3*])=O)OC([2*])=O.CC1=C(/C=C/C(C)=C/C=C/C(C)=C/CO)C(C)(C)CCC1>>*C(=O)OC/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C.[1*]C(=O)OCC(CO)OC([2*])=O
393 392 78067 78068; 78069 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue [1*]C(=O)OCC(COC([3*])=O)OC([2*])=O.CC1=C(/C=C/C(C)=C/C=C/C(C)=C/CO)C(C)(C)CCC1>>*C(=O)OC/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C.[1*]C(=O)OCC(O)COC([2*])=O
394 393 78075 78076; 78077 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue [1*]C(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC([2*])=O.[H]O[H]>>*C(=O)O[C@H](CO)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O.*C(=O)[O-].[H+]
395 394 78079 78080; 78081 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue [1*]C(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC([2*])=O.[H]O[H]>>[1*]C(=O)OC[C@@H](O)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O.*C(=O)[O-].[H+]
396 395 78083 78084; 78085 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue [1*]C(=O)OC[C@H](CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)OC([2*])=O.[H]O[H]>>[2*]C(=O)OC[C@@H](O)CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O.*C(=O)[O-].[H+]
397 396 78087 78088; 78089 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue [1*]C(=O)OC[C@H](CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)OC([2*])=O.[H]O[H]>>[2*]C(=O)O[C@H](CO)CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O.*C(=O)[O-].[H+]
398 397 78099 78100; 78101 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue [1*]C(=O)OC[C@@H](O)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O.[H]O[H]>>OC[C@@H](O)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O.*C(=O)[O-].[H+]
399 398 78147 78148; 78149 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue [1*]C(=O)OCC(O)COC([2*])=O.[H]O[H]>>*C(=O)OC[C@@H](O)CO.*C(=O)[O-].[H+]
400 399 78151 78152; 78153 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue *C(=O)OC[C@H](O)CO.[H]O[H]>>OCC(O)CO.*C(=O)[O-].[H+]
401 400 78195 78196; 78197 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue *C1CCC2C3CCC4C[C@@H](O)CCC4(C)C3CCC12C.[1*]C(=O)OCC(COC([3*])=O)OC([2*])=O>>*C(=O)O[C@H]1CCC2(C)C(CCC3C4CCC(*)C4(C)CCC32)C1.[1*]C(=O)OCC(CO)OC([2*])=O
402 401 78199 78200; 78201 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue *C1CCC2C3CCC4C[C@@H](O)CCC4(C)C3CCC12C.[1*]C(=O)OCC(COC([3*])=O)OC([2*])=O>>*C(=O)O[C@H]1CCC2(C)C(CCC3C4CCC(*)C4(C)CCC32)C1.[1*]C(=O)OCC(O)COC([2*])=O
403 402 79255 79256; 79257 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue C[C@H]1CCCC(=O)CCC/C=C/C2=CC(O)=CC(O)=C2C(=O)O1.[H]O[H]>>C[C@H](O)CCCC(=O)CCC/C=C/C1=C(C(=O)[O-])C(O)=CC(O)=C1.[H+]
404 403 81067 81068; 81069 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue [H][C@@]12[C@H](O)CC3=C(COC3=O)[C@@]1(CO)CCC[C@]2(C)CO.O=C([O-])C1=CC=CC=C1.[H+]>>[H][C@@]12[C@H](OC(=O)C3=CC=CC=C3)CC3=C(COC3=O)[C@@]1(CO)CCC[C@]2(C)CO.[H]O[H]
405 404 81071 81072; 81073 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue [H][C@@]12[C@H](O)CC3=C(COC3=O)[C@@]1(CO)CCC[C@]2(C)CO.O=C([O-])C1=CC=C(O)C=C1.[H+]>>[H][C@@]12[C@H](OC(=O)C3=CC=C(O)C=C3)CC3=C(COC3=O)[C@@]1(CO)CCC[C@]2(C)CO.[H]O[H]
406 405 82611 82612; 82613 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CC1=C(O)C(C)=C(CO)C(C(=O)[O-])=C1O.[H+]>>CC1=C(O)C(C)=C2COC(=O)C2=C1O.[H]O[H]
407 406 86079 86080; 86081 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CC(=O)OC[C@H]1O[C@@H](O[C@H]2[C@H](OC(C)CCCCCC/C=C\CCCCCCCC(=O)O[C@H]3O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]3O)O[C@H](COC(C)=O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O>>CC(=O)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](COC(C)=O)O[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O.CC(=O)OC[C@H]1O[C@H]2OC(C)CCCCCC/C=C\CCCCCCCC(=O)O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@@H]2[C@@H](O)[C@@H]1O)O[C@@H]3COC(C)=O
408 407 86083 86084; 86085 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CC(CCCCCC/C=C\CCCCCCCC(=O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O>>CC1CCCCCC/C=C\CCCCCCCC(=O)O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@H]3[C@H](O1)O[C@H](CO)[C@@H](O)[C@@H]3O)O[C@@H]2CO.OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
409 408 86127 86128; 86129 LR; RL 3.1.1.96 3.1.1 2 1 7 7 unclassified_unique_ec4 MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CC(=O)OC[C@H]1O[C@@H](O[C@H]2[C@H](OC(C)CCCCCC/C=C\CCCCCCCC(=O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)O[C@H](COC(C)=O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O>>CC(=O)OC[C@H]1O[C@H]2OC(C)CCCCCC/C=C\CCCCCCCC(=O)O[C@H]3[C@H](O)[C@@H](O)[C@H](O[C@@H]2[C@@H](O)[C@@H]1O)O[C@@H]3COC(C)=O.OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
410 409 67636 67637; 67638 LR; RL 4.3.1.2 4.3.1 2 2 7 7 unclassified_unique_ec4 MCSA_468_2_0; MCSA_468_2_1 468 4.3.1.2 7 chg:C~C:->=,del:C~N:- Asp238; Asp307; Glu273; Lys331 Asp238; Asp307; Glu273; Lys331 Asp238; Asp307; Gln172; Gln329; Glu273; His194; Lys331 threo-3-methyl-L-aspartate(1-) -> mesaconate(2-) + ammonium NC1=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](COP(=O)([O-])[O-])O2)C(N[C@@H](CC(=O)[O-])C(=O)[O-])=N1>>NC1=NC2=C(N=CN2[C@H]2C[C@H](O)[C@@H](COP(=O)([O-])[O-])O2)C(N)=N1.O=C([O-])/C=C/C(=O)[O-]
411 410 69140 69141; 69142 LR; RL 4.3.1.2 4.3.1 2 2 7 7 unclassified_unique_ec4 MCSA_468_2_0; MCSA_468_2_1 468 4.3.1.2 7 chg:C~C:->=,del:C~N:- Asp238; Asp307; Glu273; Lys331 Asp238; Asp307; Glu273; Lys331 Asp238; Asp307; Gln172; Gln329; Glu273; His194; Lys331 threo-3-methyl-L-aspartate(1-) -> mesaconate(2-) + ammonium [NH3+]CCCC[NH2+]CCC=O>>[H]C(=C)C([H])=O.[NH3+]CCCC[NH3+]
412 411 69152 69153; 69154 LR; RL 4.3.1.2 4.3.1 2 2 7 7 unclassified_unique_ec4 MCSA_468_2_0; MCSA_468_2_1 468 4.3.1.2 7 chg:C~C:->=,del:C~N:- Asp238; Asp307; Glu273; Lys331 Asp238; Asp307; Glu273; Lys331 Asp238; Asp307; Gln172; Gln329; Glu273; His194; Lys331 threo-3-methyl-L-aspartate(1-) -> mesaconate(2-) + ammonium [NH3+]CCC[NH2+]CCCC[NH2+]CCC=O>>[H]C(=C)C([H])=O.[NH3+]CCCC[NH2+]CCC[NH3+]
413 412 69156 69157; 69158 LR; RL 4.3.1.2 4.3.1 2 2 7 7 unclassified_unique_ec4 MCSA_468_2_0; MCSA_468_2_1 468 4.3.1.2 7 chg:C~C:->=,del:C~N:- Asp238; Asp307; Glu273; Lys331 Asp238; Asp307; Glu273; Lys331 Asp238; Asp307; Gln172; Gln329; Glu273; His194; Lys331 threo-3-methyl-L-aspartate(1-) -> mesaconate(2-) + ammonium O=CCC[NH2+]CCCC[NH2+]CCC=O>>[NH3+]CCCC[NH2+]CCC=O.[H]C(=C)C([H])=O
414 413 74595 74596; 74597 LR; RL 4.3.1.2 4.3.1 2 2 7 7 unclassified_unique_ec4 MCSA_468_2_0; MCSA_468_2_1 468 4.3.1.2 7 chg:C~C:->=,del:C~N:- Asp238; Asp307; Glu273; Lys331 Asp238; Asp307; Glu273; Lys331 Asp238; Asp307; Gln172; Gln329; Glu273; His194; Lys331 threo-3-methyl-L-aspartate(1-) -> mesaconate(2-) + ammonium C[C@@H](C(=O)[O-])[C@H]([NH3+])C(=O)[O-]>>C/C(=C\C(=O)[O-])C(=O)[O-].[H][N+]([H])([H])[H]
415 414 75359 75360; 75361 LR; RL 4.3.1.2 4.3.1 2 2 7 7 unclassified_unique_ec4 MCSA_468_2_0; MCSA_468_2_1 468 4.3.1.2 7 chg:C~C:->=,del:C~N:- Asp238; Asp307; Glu273; Lys331 Asp238; Asp307; Glu273; Lys331 Asp238; Asp307; Gln172; Gln329; Glu273; His194; Lys331 threo-3-methyl-L-aspartate(1-) -> mesaconate(2-) + ammonium [NH3+][C@@H](CN1C=CC(=O)C(O)=C1)C(=O)[O-]>>O=C1C=CNC=C1O.C=C([NH3+])C(=O)[O-]
416 415 81175 81176; 81177 LR; RL 4.3.1.2 4.3.1 2 2 7 7 unclassified_unique_ec4 MCSA_468_2_0; MCSA_468_2_1 468 4.3.1.2 7 chg:C~C:->=,del:C~N:- Asp238; Asp307; Glu273; Lys331 Asp238; Asp307; Glu273; Lys331 Asp238; Asp307; Gln172; Gln329; Glu273; His194; Lys331 threo-3-methyl-L-aspartate(1-) -> mesaconate(2-) + ammonium C[C@@H]([NH2+]C(CC(=O)[O-])C(=O)[O-])[C@H](N)C(=O)[O-]>>C[C@@H]([NH3+])[C@H](N)C(=O)[O-].O=C([O-])/C=C/C(=O)[O-]
417 416 32919 32920; 32921 LR; RL 3.1.1.96 3.1.1 4 2 7 7 unclassified_unique_ec4 MCSA_748_1_0; MCSA_748_1_3 748 3.1.1.96 7 add:C~O:-,del:C~O:- Thr80 Thr80 Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue COC(=O)CC1=CNC2=C1C=CC=C2.[H]O[H]>>O=C([O-])CC1=CN/C2=C\C=C/C=C\12.CO.[H+]
418 417 78415 78416; 78417 LR; RL 3.1.1.96 3.1.1 4 2 7 7 unclassified_unique_ec4 MCSA_748_1_0; MCSA_748_1_3 748 3.1.1.96 7 add:C~O:-,del:C~O:- Thr80 Thr80 Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue COC(=O)NC1=NC2=C(C=CC=C2)N1.[H]O[H]>>O=C([O-])NC1=NC2=CC=CC=C2N1.CO.[H+]
419 418 85503 85504; 85505 LR; RL 3.1.1.96 3.1.1 4 2 7 7 unclassified_unique_ec4 MCSA_748_1_0; MCSA_748_1_3 748 3.1.1.96 7 add:C~O:-,del:C~O:- Thr80 Thr80 Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue COC(=O)C1=CC=CN=C1.[H]O[H]>>O=C([O-])C1=CC=CN=C1.CO.[H+]
420 419 85883 85884; 85885 LR; RL 3.1.1.96 3.1.1 4 2 7 7 unclassified_unique_ec4 MCSA_748_1_0; MCSA_748_1_3 748 3.1.1.96 7 add:C~O:-,del:C~O:- Thr80 Thr80 Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue [H][C@@]12C[C@H](CC)[C@]3([H])[N@@H+](CCC4=C(NC5=C4C=CC=C5)[C@]3(C(=O)OC)C1)C2.[H]O[H]>>[H][C@@]12C[C@H](CC)[C@]3([H])[N@@H+](CCC4=C(NC5=C4C=CC=C5)[C@]3(C(=O)[O-])C1)C2.CO.[H+]
421 420 36387 36388; 36389 LR; RL 3.1.1.96 3.1.1 3 3 7 7 unclassified_unique_ec4 MCSA_748_1_0; MCSA_748_1_3; MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Thr80 Thr80 Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue NC(=O)OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1O.[NH3+]C[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H]([NH3+])[C@H]3O)[C@H]([NH3+])C[C@@H]2[NH3+])[C@H](O)[C@@H](O)[C@@H]1O>>NC(=O)OC[C@H]1O[C@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3O[C@H](C[NH3+])[C@@H](O)[C@H](O)[C@H]3O)[C@@H]([NH3+])C[C@H]2[NH3+])[C@H](O)[C@@H]([NH3+])[C@@H]1O.NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O.[H+]
422 421 24776 24777; 24778 LR; RL 3.1.1.96 3.1.1 6 3 7 7 unclassified_unique_ec4 MCSA_748_1_0; MCSA_748_1_3; MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Thr80 Thr80 Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue C=CC1=C(C)/C2=C/C3=N/C(=C4\C5=C(C(=O)[C-]4C(=O)OC)/C(C)=C(/C=C4\N=C(/C=C/1N2)C(C)=C4CC)N5)[C@@H](CCC(=O)[O-])[C@@H]3C.[H]O[H]>>C=CC1=C(C)/C2=C/C3=N/C(=C4\C5=C(C(=O)[C@@H]4C(=O)[O-])/C(C)=C(/C=C4\N=C(/C=C/1N2)C(C)=C4CC)N5)[C@@H](CCC(=O)[O-])[C@@H]3C.CO
423 422 32851 32852; 32853 LR; RL 3.1.1.96 3.1.1 6 3 7 7 unclassified_unique_ec4 MCSA_748_1_0; MCSA_748_1_3; MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Thr80 Thr80 Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue [1*]C(=O)OC(CO)CO.[1*]C(=O)OC[C@]([H])(COP(=O)([O-])OCC[N+](C)(C)C)OC([2*])=O>>[1*]C(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C.[1*]C(=O)OC[C@H](CO)OC([2*])=O
424 423 32855 32856; 32857 LR; RL 3.1.1.96 3.1.1 6 3 7 7 unclassified_unique_ec4 MCSA_748_1_0; MCSA_748_1_3; MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Thr80 Thr80 Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue [1*]C(=O)OC(CO)CO.[1*]C(=O)OC[C@H](COP(=O)([O-])OCC[NH3+])OC([2*])=O>>[1*]C(=O)OC[C@@H](O)COP(=O)([O-])OCC[NH3+].[1*]C(=O)OC[C@H](CO)OC([2*])=O
425 424 33731 33732; 33733 LR; RL 3.1.1.96 3.1.1 6 3 7 7 unclassified_unique_ec4 MCSA_748_1_0; MCSA_748_1_3; MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Thr80 Thr80 Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue [1*]C(=O)OC[C@H](COP(=O)([O-])OCC(O)COP(=O)([O-])OC[C@H](O)COC([3*])=O)OC([2*])=O.[1*]C(=O)OC[C@]([H])(COP(=O)([O-])OCC[N+](C)(C)C)OC([2*])=O>>[1*]C(=O)OC[C@H](COP(=O)([O-])OCC(O)COP(=O)([O-])OC[C@@H](COC([3*])=O)OC([4*])=O)OC([2*])=O.[1*]C(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C
426 425 35843 35844; 35845 LR; RL 3.1.1.96 3.1.1 6 3 7 7 unclassified_unique_ec4 MCSA_748_1_0; MCSA_748_1_3; MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Thr80 Thr80 Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue [1*]C(=O)OC[C@H](COP(=O)([O-])OCC(O)COP(=O)([O-])OC[C@H](O)COC([3*])=O)OC([2*])=O.[1*]C(=O)OC[C@H](COP(=O)([O-])OCC[NH3+])OC([2*])=O>>[1*]C(=O)OC[C@H](COP(=O)([O-])OCC(O)COP(=O)([O-])OC[C@@H](COC([3*])=O)OC([4*])=O)OC([2*])=O.[1*]C(=O)OC[C@@H](O)COP(=O)([O-])OCC[NH3+]
427 426 36383 36384; 36385 LR; RL 3.1.1.96 3.1.1 6 3 7 7 unclassified_unique_ec4 MCSA_748_1_0; MCSA_748_1_3; MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Thr80 Thr80 Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue [NH3+]C[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H]([NH3+])[C@H]3O)[C@H]([NH3+])C[C@@H]2[NH3+])[C@H]([NH3+])C[C@@H]1O.NC(=O)OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1O>>NC(=O)OC[C@H]1O[C@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3O[C@H](C[NH3+])[C@@H](O)C[C@H]3[NH3+])[C@@H]([NH3+])C[C@H]2[NH3+])[C@H](O)[C@@H]([NH3+])[C@@H]1O.NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O.[H+]
428 427 40247 40248; 40249 LR; RL 3.1.1.96 3.1.1 6 3 7 7 unclassified_unique_ec4 MCSA_748_1_0; MCSA_748_1_3; MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Thr80 Thr80 Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CC[C@@]1(O)C[C@H](O[C@H]2C[C@H]([NH3+])[C@H](O)[C@H](C)O2)C2=C(C(O)=C3C(=O)C4=CC=CC(O)=C4C(=O)C3=C2O)[C@H]1C(=O)OC.[H]O[H]>>CC[C@@]1(O)C[C@H](O[C@H]2C[C@H]([NH3+])[C@H](O)[C@H](C)O2)C2=C(C(O)=C3C(=O)C4=CC=CC(O)=C4C(=O)C3=C2O)[C@H]1C(=O)[O-].CO.[H+]
429 428 40251 40252; 40253 LR; RL 3.1.1.96 3.1.1 6 3 7 7 unclassified_unique_ec4 MCSA_748_1_0; MCSA_748_1_3; MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Thr80 Thr80 Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CC[C@@]1(O)C[C@H](O[C@H]2C[C@H]([NH3+])[C@H](O)[C@H](C)O2)C2=C(C(O)=C3C(=O)C4=CC=CC(OC)=C4C(=O)C3=C2O)[C@H]1C(=O)OC.[H]O[H]>>CC[C@@]1(O)C[C@H](O[C@H]2C[C@H]([NH3+])[C@H](O)[C@H](C)O2)C2=C(C(O)=C3C(=O)C4=CC=CC(OC)=C4C(=O)C3=C2O)[C@H]1C(=O)[O-].CO.[H+]
430 429 40899 40900; 40901 LR; RL 3.1.1.96 3.1.1 6 3 7 7 unclassified_unique_ec4 MCSA_748_1_0; MCSA_748_1_3; MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Thr80 Thr80 Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OCC[NH3+].CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C>>[H][C@@](COC(=O)CCCCCCCCCCCCCCC)(COP(=O)([O-])OCC[NH3+])OC(=O)CCCCCCCCCCCCCCC.C[N+](C)(C)CCOP(=O)([O-])OC[C@H](O)CO
431 430 41352 41353; 41354 LR; RL 3.1.1.96 3.1.1 6 3 7 7 unclassified_unique_ec4 MCSA_748_1_0; MCSA_748_1_3; MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Thr80 Thr80 Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue *C(=O)OC[C@@H](O)COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O.CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C>>*C(=O)OC[C@H](COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCC.C[N+](C)(C)CCOP(=O)([O-])OC[C@H](O)CO
432 431 41396 41397; 41398 LR; RL 3.1.1.96 3.1.1 6 3 7 7 unclassified_unique_ec4 MCSA_748_1_0; MCSA_748_1_3; MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Thr80 Thr80 Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCCCCCCCCCCOC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(C)=O.*/C=C\OC[C@@H](O)COP(=O)([O-])OCC[NH3+]>>*/C=C\OC[C@H](COP(=O)([O-])OCC[NH3+])OC(C)=O.CCCCCCCCCCCCCCCCOC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C
433 432 44652 44653; 44654 LR; RL 3.1.1.96 3.1.1 6 3 7 7 unclassified_unique_ec4 MCSA_748_1_0; MCSA_748_1_3; MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Thr80 Thr80 Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue *C(=O)OC[C@@H](O)COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O.[1*]C(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C>>*C(=O)OC[C@H](COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O)OC(*)=O.C[N+](C)(C)CCOP(=O)([O-])OC[C@H](O)CO
434 433 49908 49909; 49910 LR; RL 3.1.1.96 3.1.1 6 3 7 7 unclassified_unique_ec4 MCSA_748_1_0; MCSA_748_1_3; MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Thr80 Thr80 Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C.C[N+](C)(C)C[C@H](O)CC(=O)[O-]>>CC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C.C[N+](C)(C)C[C@H](O)CC(=O)[O-]
435 434 49912 49913; 49914 LR; RL 3.1.1.96 3.1.1 6 3 7 7 unclassified_unique_ec4 MCSA_748_1_0; MCSA_748_1_3; MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Thr80 Thr80 Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C.C[N+](C)(C)C[C@H](O)CC(=O)[O-]>>CCC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C.C[N+](C)(C)C[C@H](O)CC(=O)[O-]
436 435 49916 49917; 49918 LR; RL 3.1.1.96 3.1.1 6 3 7 7 unclassified_unique_ec4 MCSA_748_1_0; MCSA_748_1_3; MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Thr80 Thr80 Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCCCCCCCCCC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C.C[N+](C)(C)C[C@H](O)CC(=O)[O-]>>CCCCCCCCCCCCCCCC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C.C[N+](C)(C)C[C@H](O)CC(=O)[O-]
437 436 49920 49921; 49922 LR; RL 3.1.1.96 3.1.1 6 3 7 7 unclassified_unique_ec4 MCSA_748_1_0; MCSA_748_1_3; MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Thr80 Thr80 Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C.C[N+](C)(C)C[C@H](O)CC(=O)[O-]>>CCCCCCCC(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C.C[N+](C)(C)C[C@H](O)CC(=O)[O-]
438 437 49924 49925; 49926 LR; RL 3.1.1.96 3.1.1 6 3 7 7 unclassified_unique_ec4 MCSA_748_1_0; MCSA_748_1_3; MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Thr80 Thr80 Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue *C(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C.C[N+](C)(C)C[C@H](O)CC(=O)[O-]>>*C(=O)O[C@H](CC(=O)[O-])C[N+](C)(C)C.C[N+](C)(C)C[C@H](O)CC(=O)[O-]
439 438 53636 53637; 53638 LR; RL 3.1.1.96 3.1.1 6 3 7 7 unclassified_unique_ec4 MCSA_748_1_0; MCSA_748_1_3; MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Thr80 Thr80 Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue *OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(C)=O.CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C>>CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(C)=O.*OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C
440 439 53692 53693; 53694 LR; RL 3.1.1.96 3.1.1 6 3 7 7 unclassified_unique_ec4 MCSA_748_1_0; MCSA_748_1_3; MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Thr80 Thr80 Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)O[C@H](CO)COP(=O)([O-])OCC[N+](C)(C)C.[H]O[H]>>CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)[O-].C[N+](C)(C)CCOP(=O)([O-])OC[C@H](O)CO.[H+]
441 440 54428 54429; 54430 LR; RL 3.1.1.96 3.1.1 6 3 7 7 unclassified_unique_ec4 MCSA_748_1_0; MCSA_748_1_3; MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Thr80 Thr80 Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue *N[C@@H](CC(=O)OC1O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C3N=CN=C4N)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O)C(*)=O.[H]O[H]>>*N[C@@H](CC(=O)[O-])C(*)=O.NC1=C2/N=C\N([C@@H]3O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]4OC(O)[C@H](O)[C@@H]4O)[C@@H](O)[C@H]3O)C2=NC=N1.[H+]
442 441 58112 58113; 58114 LR; RL 3.1.1.96 3.1.1 6 3 7 7 unclassified_unique_ec4 MCSA_748_1_0; MCSA_748_1_3; MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Thr80 Thr80 Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CC(=O)O[C@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3/C=N\C4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O.[H]O[H]>>NC1=C2/N=C\N([C@@H]3O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]4OC(O)[C@H](O)[C@@H]4O)[C@@H](O)[C@H]3O)C2=NC=N1.CC(=O)[O-].[H+]
443 442 58248 58249; 58250 LR; RL 3.1.1.96 3.1.1 6 3 7 7 unclassified_unique_ec4 MCSA_748_1_0; MCSA_748_1_3; MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Thr80 Thr80 Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue *N[C@@H](CCC(=O)OC1O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C3N=CN=C4N)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O)C(*)=O.[H]O[H]>>*N[C@@H](CCC(=O)[O-])C(*)=O.NC1=C2/N=C\N([C@@H]3O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]4OC(O)[C@H](O)[C@@H]4O)[C@@H](O)[C@H]3O)C2=NC=N1.[H+]
444 443 59364 59365; 59366 LR; RL 3.1.1.96 3.1.1 6 3 7 7 unclassified_unique_ec4 MCSA_748_1_0; MCSA_748_1_3; MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Thr80 Thr80 Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OC[C@H]([NH3+])C(=O)[O-])OC(=O)CCCCCCCC1OC1CCCCCCCC.[H]O[H]>>CCCCCCCCC1OC1CCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OC[C@H]([NH3+])C(=O)[O-].[H+]
445 444 59368 59369; 59370 LR; RL 3.1.1.96 3.1.1 6 3 7 7 unclassified_unique_ec4 MCSA_748_1_0; MCSA_748_1_3; MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Thr80 Thr80 Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OC[C@H]([NH3+])C(=O)[O-])OC(=O)CCCCCCCCC(O)CCCCCCCC.[H]O[H]>>CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OC[C@H]([NH3+])C(=O)[O-].CCCCCCCCC(O)CCCCCCCCC(=O)[O-].[H+]
446 445 59512 59513; 59514 LR; RL 3.1.1.96 3.1.1 6 3 7 7 unclassified_unique_ec4 MCSA_748_1_0; MCSA_748_1_3; MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Thr80 Thr80 Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CC(=O)OC1=C(C(=O)[O-])C=CC=C1.*N[C@@H](CO)C(*)=O>>*N[C@@H](COC(C)=O)C(*)=O.O=C([O-])C1=C(O)C=CC=C1
447 446 63656 63657; 63658 LR; RL 3.1.1.96 3.1.1 6 3 7 7 unclassified_unique_ec4 MCSA_748_1_0; MCSA_748_1_3; MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Thr80 Thr80 Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCCCCCCCCCCOC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C.CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C>>[H][C@@](COCCCCCCCCCCCCCCCC)(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC.C[N+](C)(C)CCOP(=O)([O-])OC[C@H](O)CO
448 447 63760 63761; 63762 LR; RL 3.1.1.96 3.1.1 6 3 7 7 unclassified_unique_ec4 MCSA_748_1_0; MCSA_748_1_3; MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Thr80 Thr80 Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCCCCCCCCCCCCCCCOC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C.CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OCC[NH3+]>>[H][C@@](COCCCCCCCCCCCCCCCC)(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC.[NH3+]CCOP(=O)([O-])OC[C@H](O)CO
449 448 63772 63773; 63774 LR; RL 3.1.1.96 3.1.1 6 3 7 7 unclassified_unique_ec4 MCSA_748_1_0; MCSA_748_1_3; MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Thr80 Thr80 Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue */C=C\OC[C@@H](O)COP(=O)([O-])OCC[NH3+].CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C>>*/C=C\OC[C@H](COP(=O)([O-])OCC[NH3+])OC(=O)CCCCCCCCCCCCCCC.C[N+](C)(C)CCOP(=O)([O-])OC[C@H](O)CO
450 449 67668 67669; 67670 LR; RL 3.1.1.96 3.1.1 6 3 7 7 unclassified_unique_ec4 MCSA_748_1_0; MCSA_748_1_3; MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Thr80 Thr80 Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue [1*]C(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C.[1*]C(=O)OC[C@H](COP(=O)([O-])OCC[NH3+])OC([2*])=O>>[1*]C(=O)OC[C@@H](O)COP(=O)([O-])OCC[NH3+].[1*]C(=O)OC[C@]([H])(COP(=O)([O-])OCC[N+](C)(C)C)OC([2*])=O
451 450 67672 67673; 67674 LR; RL 3.1.1.96 3.1.1 6 3 7 7 unclassified_unique_ec4 MCSA_748_1_0; MCSA_748_1_3; MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Thr80 Thr80 Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue [1*]C(=O)OC[C@H](COP(=O)([O-])[O-])OC([2*])=O.[1*]C(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C>>*C(=O)OC[C@@H](O)COP(=O)([O-])[O-].[1*]C(=O)OC[C@]([H])(COP(=O)([O-])OCC[N+](C)(C)C)OC([2*])=O
452 451 78023 78024; 78025 LR; RL 3.1.1.96 3.1.1 6 3 7 7 unclassified_unique_ec4 MCSA_748_1_0; MCSA_748_1_3; MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Thr80 Thr80 Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue *OC[C@H](CO)OC(C)=O.[1*]C(=O)OC[C@]([H])(COP(=O)([O-])OCC[N+](C)(C)C)OC([2*])=O>>*OC[C@H](COC(*)=O)OC(C)=O.[1*]C(=O)O[C@H](CO)COP(=O)([O-])OCC[N+](C)(C)C
453 452 78027 78028; 78029 LR; RL 3.1.1.96 3.1.1 6 3 7 7 unclassified_unique_ec4 MCSA_748_1_0; MCSA_748_1_3; MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Thr80 Thr80 Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue *OC[C@H](CO)OC(C)=O.[1*]C(=O)OC[C@]([H])(COP(=O)([O-])OCC[N+](C)(C)C)OC([2*])=O>>*OC[C@H](COC(*)=O)OC(C)=O.[1*]C(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C
454 453 78039 78040; 78041 LR; RL 3.1.1.96 3.1.1 6 3 7 7 unclassified_unique_ec4 MCSA_748_1_0; MCSA_748_1_3; MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Thr80 Thr80 Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue *OCC(O)CO.[1*]C(=O)OC[C@]([H])(COP(=O)([O-])OCC[N+](C)(C)C)OC([2*])=O>>*OCC(O)COC(*)=O.[1*]C(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C
455 454 78043 78044; 78045 LR; RL 3.1.1.96 3.1.1 6 3 7 7 unclassified_unique_ec4 MCSA_748_1_0; MCSA_748_1_3; MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Thr80 Thr80 Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue *OCC(O)CO.[1*]C(=O)OC[C@]([H])(COP(=O)([O-])OCC[N+](C)(C)C)OC([2*])=O>>*OCC(O)COC(*)=O.[1*]C(=O)O[C@H](CO)COP(=O)([O-])OCC[N+](C)(C)C
456 455 78047 78048; 78049 LR; RL 3.1.1.96 3.1.1 6 3 7 7 unclassified_unique_ec4 MCSA_748_1_0; MCSA_748_1_3; MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Thr80 Thr80 Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue *OCC(CO)OC(C)=O.[1*]C(=O)OC[C@]([H])(COP(=O)([O-])OCC[N+](C)(C)C)OC([2*])=O>>*OCC(COC(*)=O)OC(C)=O.[1*]C(=O)O[C@H](CO)COP(=O)([O-])OCC[N+](C)(C)C
457 456 78051 78052; 78053 LR; RL 3.1.1.96 3.1.1 6 3 7 7 unclassified_unique_ec4 MCSA_748_1_0; MCSA_748_1_3; MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Thr80 Thr80 Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue *OCC(CO)OC(C)=O.[1*]C(=O)OC[C@]([H])(COP(=O)([O-])OCC[N+](C)(C)C)OC([2*])=O>>*OCC(COC(*)=O)OC(C)=O.[1*]C(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C
458 457 78127 78128; 78129 LR; RL 3.1.1.96 3.1.1 6 3 7 7 unclassified_unique_ec4 MCSA_748_1_0; MCSA_748_1_3; MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Thr80 Thr80 Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue [1*]C(=O)O[C@H](CO)COP(=O)([O-])OCC[N+](C)(C)C.[1*]C(=O)OC[C@H](COP(=O)([O-])OCC[NH3+])OC([2*])=O>>*C(=O)O[C@H](CO)COP(=O)([O-])OCC[NH3+].[1*]C(=O)OC[C@]([H])(COP(=O)([O-])OCC[N+](C)(C)C)OC([2*])=O
459 458 78163 78164; 78165 LR; RL 3.1.1.96 3.1.1 6 3 7 7 unclassified_unique_ec4 MCSA_748_1_0; MCSA_748_1_3; MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Thr80 Thr80 Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue [1*]C(=O)O[C@H](CO)COP(=O)([O-])OCC[N+](C)(C)C.[1*]C(=O)OC[C@H](COP(=O)([O-])OCC[NH3+])OC([2*])=O>>[1*]C(=O)OC[C@@H](O)COP(=O)([O-])OCC[NH3+].[1*]C(=O)OC[C@]([H])(COP(=O)([O-])OCC[N+](C)(C)C)OC([2*])=O
460 459 78431 78432; 78433 LR; RL 3.1.1.96 3.1.1 6 3 7 7 unclassified_unique_ec4 MCSA_748_1_0; MCSA_748_1_3; MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Thr80 Thr80 Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue *C(=O)O[C@@H](CO)CO[1*].[1*]C(=O)OC[C@]([H])(COP(=O)([O-])OCC[N+](C)(C)C)OC([2*])=O>>*OC[C@H](COC(*)=O)OC(*)=O.[1*]C(=O)O[C@H](CO)COP(=O)([O-])OCC[N+](C)(C)C
461 460 78435 78436; 78437 LR; RL 3.1.1.96 3.1.1 6 3 7 7 unclassified_unique_ec4 MCSA_748_1_0; MCSA_748_1_3; MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Thr80 Thr80 Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue *C(=O)O[C@@H](CO)CO[1*].[1*]C(=O)OC[C@]([H])(COP(=O)([O-])OCC[N+](C)(C)C)OC([2*])=O>>*OC[C@H](COC(*)=O)OC(*)=O.[1*]C(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C
462 461 79435 79436; 79437 LR; RL 3.1.1.96 3.1.1 6 3 7 7 unclassified_unique_ec4 MCSA_748_1_0; MCSA_748_1_3; MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Thr80 Thr80 Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue */C=C\OC[C@@H](O)COP(=O)([O-])OCC[NH3+].[1*]C(=O)OC[C@]([H])(COP(=O)([O-])OCC[N+](C)(C)C)OC([2*])=O>>*/C=C\OC[C@H](COP(=O)([O-])OCC[NH3+])OC(*)=O.[1*]C(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C
463 462 80535 80536; 80537 LR; RL 3.1.1.96 3.1.1 6 3 7 7 unclassified_unique_ec4 MCSA_748_1_0; MCSA_748_1_3; MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Thr80 Thr80 Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue *C(=O)OC[C@H](COP(=O)([O-])OCC(O)COP(=O)([O-])OC[C@@H](CO)OC(*)=O)OC(*)=O.[1*]C(=O)OC[C@]([H])(COP(=O)([O-])OCC[N+](C)(C)C)OC([2*])=O>>[1*]C(=O)OC[C@H](COP(=O)([O-])OCC(O)COP(=O)([O-])OC[C@@H](COC([3*])=O)OC([4*])=O)OC([2*])=O.[1*]C(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C
464 463 81535 81536; 81537 LR; RL 3.1.1.96 3.1.1 6 3 7 7 unclassified_unique_ec4 MCSA_748_1_0; MCSA_748_1_3; MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Thr80 Thr80 Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue CCC/C=C/C=C/C=C(\C)[C@@H]1OC[C@H](C)[C@H](OC)[C@H]1O.[NH3+]CC(=O)[O-].[H+]>>CCC/C=C/C=C/C=C(\C)[C@@H]1OC[C@H](C)[C@H](OC)[C@H]1OC(=O)C[NH3+].[H]O[H]
465 464 85879 85880; 85881 LR; RL 3.1.1.96 3.1.1 6 3 7 7 unclassified_unique_ec4 MCSA_748_1_0; MCSA_748_1_3; MCSA_748_2_0 748 3.1.1.96 7 add:C~O:-,del:C~O:- Thr80 Thr80 Gln78; Phe79; Thr80 3'-(D-alpha-aminoacyl)adenylyl zwitterionic group + water -> D-alpha-amino acid zwitterion + hydron + AMP 3'-end(1-) residue [H][C@]12C[C@H](CC)[C@]3([H])[NH+](CCC4=C(NC5=C4C=C(OC)C=C5)[C@]3(C(=O)OC)C1)C2.[H]O[H]>>[H][C@@]12C[C@H](CC)[C@@]3([H])[C@@](C(=O)[O-])(C1)C1=C(CC[N@@+]3([H])C2)C2=C(C=CC(OC)=C2)N1.CO.[H+]
466 465 45632 45633; 45634 LR; RL 3.1.3.7 3.1.3 1 1 6 6 unclassified_unique_ec4 MCSA_904_1_0 904 3.1.3.7 6 add:O~P:-,del:O~P:- Asp142; Asp145; Asp294; Asp49; Glu72; Ile144; Thr147 Asp142; Asp145; Asp294; Asp49; Glu72; Ile144; Thr147 Asp142; Asp145; Asp294; Asp49; Glu72; Ile144; Thr147 adenosine 3',5'-bismonophosphate(4-) + water -> adenosine 5'-monophosphate(2-) + hydrogenphosphate CCCCCCCC(=O)OC[C@H](COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](OP(=O)([O-])[O-])[C@@H](O)[C@H](OP(=O)([O-])[O-])[C@H]1O)OC(=O)CCCCCCC.[H]O[H]>>CCCCCCCC(=O)OC[C@H](COP(=O)([O-])O[C@H]1[C@H](O)[C@@H](OP(=O)([O-])[O-])[C@H](O)[C@@H](O)[C@H]1O)OC(=O)CCCCCCC.O=P([O-])([O-])O
467 466 45636 45637; 45638 LR; RL 3.1.3.7 3.1.3 1 1 6 6 unclassified_unique_ec4 MCSA_904_1_0 904 3.1.3.7 6 add:O~P:-,del:O~P:- Asp142; Asp145; Asp294; Asp49; Glu72; Ile144; Thr147 Asp142; Asp145; Asp294; Asp49; Glu72; Ile144; Thr147 Asp142; Asp145; Asp294; Asp49; Glu72; Ile144; Thr147 adenosine 3',5'-bismonophosphate(4-) + water -> adenosine 5'-monophosphate(2-) + hydrogenphosphate CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](OP(=O)([O-])[O-])[C@@H](O)[C@H](OP(=O)([O-])[O-])[C@H]1O)OC(=O)CCCCCCCCCCCCCCC.[H]O[H]>>CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])O[C@H]1[C@H](O)[C@@H](OP(=O)([O-])[O-])[C@H](O)[C@@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCC.O=P([O-])([O-])O
468 467 52532 52533; 52534 LR; RL 3.1.3.7 3.1.3 1 1 6 6 unclassified_unique_ec4 MCSA_904_1_0 904 3.1.3.7 6 add:O~P:-,del:O~P:- Asp142; Asp145; Asp294; Asp49; Glu72; Ile144; Thr147 Asp142; Asp145; Asp294; Asp49; Glu72; Ile144; Thr147 Asp142; Asp145; Asp294; Asp49; Glu72; Ile144; Thr147 adenosine 3',5'-bismonophosphate(4-) + water -> adenosine 5'-monophosphate(2-) + hydrogenphosphate NC1=C2N=CN([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)C2=NC=N1.NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]2O)C(=O)N1>>NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]2O)C(=O)N1.NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O.[H+]
469 468 62120 62121; 62122 LR; RL 3.1.3.7 3.1.3 1 1 6 6 unclassified_unique_ec4 MCSA_904_1_0 904 3.1.3.7 6 add:O~P:-,del:O~P:- Asp142; Asp145; Asp294; Asp49; Glu72; Ile144; Thr147 Asp142; Asp145; Asp294; Asp49; Glu72; Ile144; Thr147 Asp142; Asp145; Asp294; Asp49; Glu72; Ile144; Thr147 adenosine 3',5'-bismonophosphate(4-) + water -> adenosine 5'-monophosphate(2-) + hydrogenphosphate [H][C@]1(COP(=O)([O-])OP(=O)([O-])[O-])O[C@@]([H])(N2C=C(CO)C(N)=NC2=O)C[C@@H]1O.NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O>>NC1=NC(=O)N([C@H]2C[C@H](O)[C@@H](COP(=O)([O-])[O-])O2)C=C1CO.NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O
470 469 62336 62337; 62338 LR; RL 3.1.3.7 3.1.3 1 1 6 6 unclassified_unique_ec4 MCSA_904_1_0 904 3.1.3.7 6 add:O~P:-,del:O~P:- Asp142; Asp145; Asp294; Asp49; Glu72; Ile144; Thr147 Asp142; Asp145; Asp294; Asp49; Glu72; Ile144; Thr147 Asp142; Asp145; Asp294; Asp49; Glu72; Ile144; Thr147 adenosine 3',5'-bismonophosphate(4-) + water -> adenosine 5'-monophosphate(2-) + hydrogenphosphate NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](OP(=O)([O-])OP(=O)([O-])[O-])[C@H]1O.NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O.[H+]>>NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O.NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O
471 470 69180 69181; 69182 LR; RL 3.1.3.7 3.1.3 1 1 6 6 unclassified_unique_ec4 MCSA_904_1_0 904 3.1.3.7 6 add:O~P:-,del:O~P:- Asp142; Asp145; Asp294; Asp49; Glu72; Ile144; Thr147 Asp142; Asp145; Asp294; Asp49; Glu72; Ile144; Thr147 Asp142; Asp145; Asp294; Asp49; Glu72; Ile144; Thr147 adenosine 3',5'-bismonophosphate(4-) + water -> adenosine 5'-monophosphate(2-) + hydrogenphosphate CC1=NC(N)=C(C[N+]2=CSC(CCOP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])=C2C)C=N1.NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O>>CC1=NC(N)=C(C[N+]2=CSC(CCOP(=O)([O-])OP(=O)([O-])[O-])=C2C)C=N1.NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O
472 471 56300 56301; 56302 LR; RL 5.3.4.1 5.3.4 2 1 6 6 unclassified_unique_ec4 MCSA_512_2_0 512 5.3.4.1 6 add:S~S:-,del:S~S:- Asp95 Asp95; Cys101; Cys98 Arg125; Asp95; Cys101; Cys98 protein with two disulfide bridges (configuration A) -> protein with two disulfide bridges (Configuration B) *N[C@@H](CSS)C(*)=O.*N[C@@H](CS)C(*)=O.*N[C@@H](CS)C(*)=O>>*N[C@@H](CSSC[C@H](N*)C(*)=O)C(*)=O.*N[C@@H](CS)C(*)=O.[H][S-].[H+]
473 472 61596 61597; 61598 LR; RL 5.3.4.1 5.3.4 2 1 6 6 unclassified_unique_ec4 MCSA_512_2_0 512 5.3.4.1 6 add:S~S:-,del:S~S:- Asp95 Asp95; Cys101; Cys98 Arg125; Asp95; Cys101; Cys98 protein with two disulfide bridges (configuration A) -> protein with two disulfide bridges (Configuration B) *N[C@@H](CS)C(*)=O.*N[C@@H](CS)C(*)=O.*N[C@@H](CSSC[C@H](N*)C(*)=O)C(*)=O>>*N[C@@H](CSSC[C@H](N*)C(*)=O)C(*)=O.*N[C@@H](CS)C(*)=O.*N[C@@H](CS)C(*)=O
474 473 61600 61601; 61602 LR; RL 5.3.4.1 5.3.4 2 1 6 6 unclassified_unique_ec4 MCSA_512_2_0 512 5.3.4.1 6 add:S~S:-,del:S~S:- Asp95 Asp95; Cys101; Cys98 Arg125; Asp95; Cys101; Cys98 protein with two disulfide bridges (configuration A) -> protein with two disulfide bridges (Configuration B) *N[C@@H](CSSC[C@H](N*)C(*)=O)C(*)=O.*N[C@@H](CS)C(*)=O.*N[C@@H](CS)C(*)=O>>*N[C@@H](CS)C(*)=O.*N[C@@H](CS)C(*)=O.*N[C@@H](CSSC[C@H](N*)C(*)=O)C(*)=O
475 474 61604 61605; 61606 LR; RL 5.3.4.1 5.3.4 2 1 6 6 unclassified_unique_ec4 MCSA_512_2_0 512 5.3.4.1 6 add:S~S:-,del:S~S:- Asp95 Asp95; Cys101; Cys98 Arg125; Asp95; Cys101; Cys98 protein with two disulfide bridges (configuration A) -> protein with two disulfide bridges (Configuration B) *N[C@@H](CSSC[C@H](N*)C(*)=O)C(*)=O.*N[C@@H](CS)C(*)=O.*N[C@@H](CS)C(*)=O>>*N[C@@H](CSSC[C@H](N*)C(*)=O)C(*)=O.*N[C@@H](CS)C(*)=O.*N[C@@H](CS)C(*)=O
476 475 86267 86268; 86269 LR; RL 5.3.4.1 5.3.4 2 1 6 6 unclassified_unique_ec4 MCSA_512_2_0 512 5.3.4.1 6 add:S~S:-,del:S~S:- Asp95 Asp95; Cys101; Cys98 Arg125; Asp95; Cys101; Cys98 protein with two disulfide bridges (configuration A) -> protein with two disulfide bridges (Configuration B) *N[C@@H](CSSC[C@H](N*)C(*)=O)C(*)=O.[NH3+][C@@H](CS)C(=O)[O-].[NH3+][C@@H](CS)C(=O)[O-]>>*N[C@@H](CS)C(*)=O.*N[C@@H](CS)C(*)=O.[NH3+][C@@H](CSSC[C@H]([NH3+])C(=O)[O-])C(=O)[O-]
477 476 86315 86316; 86317 LR; RL 5.3.4.1 5.3.4 2 1 6 6 unclassified_unique_ec4 MCSA_512_2_0 512 5.3.4.1 6 add:S~S:-,del:S~S:- Asp95 Asp95; Cys101; Cys98 Arg125; Asp95; Cys101; Cys98 protein with two disulfide bridges (configuration A) -> protein with two disulfide bridges (Configuration B) [NH3+][C@@H](CS)C(=O)NCC(=O)[O-].[NH3+][C@@H](CS)C(=O)NCC(=O)[O-].*N[C@@H](CSSC[C@H](N*)C(*)=O)C(*)=O>>[NH3+][C@@H](CSSC[C@H]([NH3+])C(=O)NCC(=O)[O-])C(=O)NCC(=O)[O-].*N[C@@H](CS)C(*)=O.*N[C@@H](CS)C(*)=O
478 477 50312 50313; 50314 LR; RL 4.1.2.38 4.1.2 2 2 6 6 unclassified_unique_ec4 MCSA_221_1_0; MCSA_221_1_1 221 4.1.2.38 6 chg:C~O:->=,del:C~C:- Glu50; His29 Glu50; His29 Gln113; Glu50; Gly419; His29 benzoin -> 2 benzaldehyde CCCC(=O)C(=O)[O-].[H+]>>[H]C(=O)CCC.O=C=O
479 478 54364 54365; 54366 LR; RL 4.1.2.38 4.1.2 2 2 6 6 unclassified_unique_ec4 MCSA_221_1_0; MCSA_221_1_1 221 4.1.2.38 6 chg:C~O:->=,del:C~C:- Glu50; His29 Glu50; His29 Gln113; Glu50; Gly419; His29 benzoin -> 2 benzaldehyde CC(=O)C(C)O>>[H]C(C)=O.[H]C(C)=O
480 479 55072 55073; 55074 LR; RL 4.1.2.38 4.1.2 2 2 6 6 unclassified_unique_ec4 MCSA_221_1_0; MCSA_221_1_1 221 4.1.2.38 6 chg:C~O:->=,del:C~C:- Glu50; His29 Glu50; His29 Gln113; Glu50; Gly419; His29 benzoin -> 2 benzaldehyde CCC(=O)C(=O)[O-].[H+]>>[H]C(=O)CC.O=C=O
481 480 55076 55077; 55078 LR; RL 4.1.2.38 4.1.2 2 2 6 6 unclassified_unique_ec4 MCSA_221_1_0; MCSA_221_1_1 221 4.1.2.38 6 chg:C~O:->=,del:C~C:- Glu50; His29 Glu50; His29 Gln113; Glu50; Gly419; His29 benzoin -> 2 benzaldehyde CSCCC(=O)C(=O)[O-].[H+]>>CSCCC=O.O=C=O
482 481 55196 55197; 55198 LR; RL 4.1.2.38 4.1.2 2 2 6 6 unclassified_unique_ec4 MCSA_221_1_0; MCSA_221_1_1 221 4.1.2.38 6 chg:C~O:->=,del:C~C:- Glu50; His29 Glu50; His29 Gln113; Glu50; Gly419; His29 benzoin -> 2 benzaldehyde CCCCCCCCCCCCCCCCC(O)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1OP(=O)([O-])[O-]>>[H]C(=O)CCCCCCCCCCCCCCCC.[H]C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1OP(=O)([O-])[O-]
483 482 55212 55213; 55214 LR; RL 4.1.2.38 4.1.2 2 2 6 6 unclassified_unique_ec4 MCSA_221_1_0; MCSA_221_1_1 221 4.1.2.38 6 chg:C~O:->=,del:C~C:- Glu50; His29 Glu50; His29 Gln113; Glu50; Gly419; His29 benzoin -> 2 benzaldehyde CCCCCCCCCCCCCC[C@@H](O)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1OP(=O)([O-])[O-]>>[H]C(=O)CCCCCCCCCCCCCC.[H]C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1OP(=O)([O-])[O-]
484 483 67448 67449; 67450 LR; RL 4.1.2.38 4.1.2 2 2 6 6 unclassified_unique_ec4 MCSA_221_1_0; MCSA_221_1_1 221 4.1.2.38 6 chg:C~O:->=,del:C~C:- Glu50; His29 Glu50; His29 Gln113; Glu50; Gly419; His29 benzoin -> 2 benzaldehyde CCCCCCCCCCCCCCCC[C@@H](O)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1OP(=O)([O-])[O-]>>[H]C(=O)CCCCCCCCCCCCCCCC.[H]C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1OP(=O)([O-])[O-]
485 484 69424 69425; 69426 LR; RL 4.1.2.38 4.1.2 2 2 6 6 unclassified_unique_ec4 MCSA_221_1_0; MCSA_221_1_1 221 4.1.2.38 6 chg:C~O:->=,del:C~C:- Glu50; His29 Glu50; His29 Gln113; Glu50; Gly419; His29 benzoin -> 2 benzaldehyde CC(C)(O)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1OP(=O)([O-])[O-]>>[H]C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1OP(=O)([O-])[O-].CC(C)=O
486 485 72083 72084; 72085 LR; RL 4.6.1.18 4.6.1 2 2 6 6 unclassified_unique_ec4 MCSA_530_1_0; MCSA_693_1_0 530; 693 3.1.-.-; 4.6.1.18 6 add:O~P:-,del:O~P:- Glu517; His513; His116; His12 Glu517; His513; His116; His12 Arg545; Asp510; Glu517; His513; His116; His12; Lys40 RNA (poly(A)) + water -> RNA (poly(A)) + RNA (poly(A)); messenger RNA + water -> 3'-end ribonucleotide(1-) residue + 5'-end ribonucleotide(1-) residue NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@H](OP(=O)([O-])[O-])[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O.[H+]>>NC1=C2N=CN([C@@H]3O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]4O[C@@H]5OP(=O)([O-])O[C@@H]5[C@@H]4O)[C@@H](O)[C@H]3O)C2=NC=N1.[H]O[H]
487 486 79531 79532; 79533 LR; RL 4.6.1.18 4.6.1 2 2 6 6 unclassified_unique_ec4 MCSA_530_1_0; MCSA_693_1_0 530; 693 3.1.-.-; 4.6.1.18 6 add:O~P:-,del:O~P:- Glu517; His513; His116; His12 Glu517; His513; His116; His12 Arg545; Asp510; Glu517; His513; His116; His12; Lys40 RNA (poly(A)) + water -> RNA (poly(A)) + RNA (poly(A)); messenger RNA + water -> 3'-end ribonucleotide(1-) residue + 5'-end ribonucleotide(1-) residue NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@@H](O)[C@@H](O)[C@H](O)C(=O)CO)[C@@H](O)[C@H]2O)C=C1.O=P([O-])([O-])OP(=O)([O-])O>>O=C(CO)[C@@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-].NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]2O)C=C1.[H+]
488 487 83679 83680; 83681 LR; RL 4.6.1.18 4.6.1 2 2 6 6 unclassified_unique_ec4 MCSA_530_1_0; MCSA_693_1_0 530; 693 3.1.-.-; 4.6.1.18 6 add:O~P:-,del:O~P:- Glu517; His513; His116; His12 Glu517; His513; His116; His12 Arg545; Asp510; Glu517; His513; His116; His12; Lys40 RNA (poly(A)) + water -> RNA (poly(A)) + RNA (poly(A)); messenger RNA + water -> 3'-end ribonucleotide(1-) residue + 5'-end ribonucleotide(1-) residue NC1=NC=NC2=C1/N=C\N2[C@@H]1O[C@H](COP(=O)([O-])O[C@H]2[C@H](O)[C@@H]([NH3+])[C@@H](O[C@H]3[C@H](O[C@@H]4O[C@H](CO)[C@@H](O[C@H]5O[C@@H](C[NH3+])[C@@H](O)[C@H](O)[C@H]5[NH3+])[C@H]4O)[C@@H](O)[C@H]([NH3+])C[C@@H]3[NH3+])O[C@@H]2CO)[C@@H](O)[C@H]1O.O=P([O-])([O-])OP(=O)([O-])O>>[NH3+]C[C@@H]1O[C@H](O[C@H]2[C@@H](O)[C@H](O[C@@H]3[C@@H](O)[C@H]([NH3+])C[C@H]([NH3+])[C@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3[NH3+])O[C@@H]2CO)[C@H]([NH3+])[C@@H](O)[C@@H]1O.NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O
489 488 48972 48973; 48974 LR; RL 4.6.1.18 4.6.1 4 2 6 6 unclassified_unique_ec4 MCSA_530_1_0; MCSA_693_1_0 530; 693 3.1.-.-; 4.6.1.18 6 add:O~P:-,del:O~P:- Glu517; His513; His116; His12 Glu517; His513; His116; His12 Arg545; Asp510; Glu517; His513; His116; His12; Lys40 RNA (poly(A)) + water -> RNA (poly(A)) + RNA (poly(A)); messenger RNA + water -> 3'-end ribonucleotide(1-) residue + 5'-end ribonucleotide(1-) residue [H]OP(O[H])O[H].NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O.[H]O[H]>>[H]OP(O[H])O[H].NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O.O=P([O-])([O-])O.[H+]
490 489 68352 68353; 68354 LR; RL 4.6.1.18 4.6.1 4 2 6 6 unclassified_unique_ec4 MCSA_530_1_0; MCSA_693_1_0 530; 693 3.1.-.-; 4.6.1.18 6 add:O~P:-,del:O~P:- Glu517; His513; His116; His12 Glu517; His513; His116; His12 Arg545; Asp510; Glu517; His513; His116; His12; Lys40 RNA (poly(A)) + water -> RNA (poly(A)) + RNA (poly(A)); messenger RNA + water -> 3'-end ribonucleotide(1-) residue + 5'-end ribonucleotide(1-) residue NC1=NC2=C(/N=C\N2[C@@H]2O[C@H](COP(=O)([O-])O[C@@H]3[C@H](O)[C@@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])O[C@H]3N3/C=N\C4=C(N)N=CN=C43)[C@@H](O)[C@H]2O)C(=O)N1>>NC1=NC2=C(/N=C\N2[C@@H]2O[C@@H]3COP(=O)([O-])O[C@@H]4[C@H](O)[C@@H](COP(=O)([O-])O[C@H]3[C@H]2O)O[C@H]4N2/C=N\C3=C2N=CN=C3N)C(=O)N1.O=P([O-])([O-])OP(=O)([O-])O
491 490 45952 45953; 45954 LR; RL 3.2.2.3 3.2.2 3 3 6 6 unclassified_unique_ec4 MCSA_71_2_0; MCSA_71_3_0; MCSA_71_4_0 71 3.2.2.3 6 add:C~O:-,del:C~N:- Asp64; His187 Asp64; His187 Asp64; His187; Phe77; Tyr66 water + 2'-deoxyuridine -> uracil + 2-deoxy-D-ribofuranose *N[C@@H](CC(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(*)=O.O=C1C=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]2O)C(=O)N1.[H+]>>*N[C@@H](CC(N)=O)C(*)=O.O=C1C=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)C(=O)N1
492 491 55624 55625; 55626 LR; RL 3.2.2.3 3.2.2 3 3 6 6 unclassified_unique_ec4 MCSA_71_2_0; MCSA_71_3_0; MCSA_71_4_0 71 3.2.2.3 6 add:C~O:-,del:C~N:- Asp64; His187 Asp64; His187 Asp64; His187; Phe77; Tyr66 water + 2'-deoxyuridine -> uracil + 2-deoxy-D-ribofuranose *O[C@H]1C[C@H](N2C=CC(N)=[N+](C)C2=O)O[C@@H]1COP(*)(=O)[O-].[H]O[H]>>CN1C(=O)N=CC=C1N.*O[C@H]1CC(O)O[C@@H]1COP(*)(=O)[O-].[H+]
493 492 58252 58253; 58254 LR; RL 3.2.2.3 3.2.2 3 3 6 6 unclassified_unique_ec4 MCSA_71_2_0; MCSA_71_3_0; MCSA_71_4_0 71 3.2.2.3 6 add:C~O:-,del:C~N:- Asp64; His187 Asp64; His187 Asp64; His187; Phe77; Tyr66 water + 2'-deoxyuridine -> uracil + 2-deoxy-D-ribofuranose *N[C@@H](CC(=O)NC1O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C3N=CN=C4N)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O)C(*)=O.[H]O[H]>>*N[C@@H](CC(N)=O)C(*)=O.NC1=C2/N=C\N([C@@H]3O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]4OC(O)[C@H](O)[C@@H]4O)[C@@H](O)[C@H]3O)C2=NC=N1
494 493 83571 83572; 83573 LR; RL 3.2.2.3 3.2.2 3 3 6 6 unclassified_unique_ec4 MCSA_71_2_0; MCSA_71_3_0; MCSA_71_4_0 71 3.2.2.3 6 add:C~O:-,del:C~N:- Asp64; His187 Asp64; His187 Asp64; His187; Phe77; Tyr66 water + 2'-deoxyuridine -> uracil + 2-deoxy-D-ribofuranose *O[C@H]1C[C@H](N2C=CC3=NC=CN3C2=O)O[C@@H]1COP(*)(=O)[O-].[H]O[H]>>O=C1N/C=C\C2=NC=CN12.*O[C@H]1CC(O)O[C@@H]1COP(*)(=O)[O-]

2
uniprot-api.py
View File

@ -130,7 +130,7 @@ def identify_aas_in_actsite(active_sites, sequence):
def main(): def main():
args = parse_args() args = parse_args()
rhea_dict = read_tsv("../rhea_unclassified_unique_ec4_candidates.tsv", top=args.num_rhea_candidates) rhea_dict = read_tsv("./rhea_unclassified_unique_ec4_candidates.tsv", top=args.num_rhea_candidates)
for rhea_master_id in rhea_dict: for rhea_master_id in rhea_dict:
get_req_rhea(rhea_master_id, rhea_dict) get_req_rhea(rhea_master_id, rhea_dict)