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Contributor submission OxyA #199

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Contributor submission OxyA #199

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cd2702f
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mite-bot Feb 5, 2026
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mite-bot Feb 5, 2026
1836686
Delete mite_data/data/f8cddd3a-027c-11f1-97a5-1d61a0af037a.json
mite-bot Feb 5, 2026
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23 changes: 17 additions & 6 deletions mite_data/data/MITE0000038.json
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Original file line number Diff line number Diff line change
Expand Up @@ -47,6 +47,17 @@
"0000-0001-6534-6609"
],
"comment": "Homogenized enzyme descriptions"
},
{
"version": "5",
"date": "2026-02-05",
"contributors": [
"AAAAAAAAAAAAAAAAAAAAAAAA"
],
"reviewers": [
"0000-0001-6534-6609"
],
"comment": "Fixed typo in reaction description."
}
],
"enzyme": {
Expand All @@ -64,11 +75,11 @@
"mibig": "BGC0000455"
},
"cofactors": {
"inorganic": [
"Fe"
],
"organic": [
"Heme"
],
"inorganic": [
"Fe"
]
}
},
Expand All @@ -78,16 +89,16 @@
"Cyclization",
"Oxidation"
],
"description": "Introduces the second biaryl-ether crosslink between bht2 and hpg4 in the vancomycin and balhimycin precursor. The reaction occures while the vancomycin precursor is bound to the PCP of module 6 or 7. The enzyme only accepts the chlorinated precursor.",
"description": "Introduces the second biaryl-ether crosslink between bht2 and hpg4 in the vancomycin and balhimycin precursor. The reaction occurs while the vancomycin precursor is bound to the PCP of module 6 or 7. The enzyme only accepts the chlorinated precursor.",
"reactionSMARTS": "[#6:78]-[#7:77]-[#6@H:76](-[#6:75]-[#6:74](-[#6:72])-[#6:73])-[#6:71](=[O:70])-[#7:69]-[#6@H:68](-[#6@@H:3](-[#8:2])-[c:7]1[c:8][c:9][c:10](-[#8:101])[c:5]([Cl:4])[c:6]1)-[#6:67](=[O:66])-[#7:65]-[#6@@H:64](-[#6:63]-[#6:62](-[#7:61])=[O:60])-[#6:59](=[O:58])-[#7:57]-[#6@@H:56]-1-[c:15]2[c:16][c:17][c:12](-[#8:11])[c:13](-[#8:18]-[c:21]3[c:20][c:19][c:24]([c:23][c:22]3[Cl:1])-[#6@H:26](-[#8:25])-[#6@H:48](-[#7:49]-[#6:51](=[O:50])-[#6@H:52](-[#7:53]-[#6:55]-1=[O:54])-[c:31]1[c:30][c:29][c:28](-[#8:27])[c:33][c:32]1)-[#6:47](=[O:46])-[#7:45]-[#6@H:44](-[#6:43](=[O:42])-[#16:99]-[#6:98]-[#6:97]-[#7:96]-[#6:94](=[O:95])-[#6:93]-[#6:92]-[#7:91]-[#6:89](=[O:90])-[#6@H:88](-[#8:100])[C:80]([#6:79])([#6:81])[#6:82]-[#8:83][P:84]([#8:86])([#8:87])=[O:85])-[c:41]1[c:34][c:36](-[#8:35])[c:37][c:39](-[#8:38])[c:40]1)[c:14]2>>[#6:78]-[#7:77]-[#6@H:76](-[#6:75]-[#6:74](-[#6:73])-[#6:72])-[#6:71](=[O:70])-[#7:69]-[#6@@H:68]-1-[#6@@H:3](-[#8:2])-[c:7]2[c:8][c:9][c:10](-[#8:101]-[c:17]3[c:16][c:15]-4[c:14][c:13](-[#8:18]-[c:21]5[c:20][c:19][c:24]([c:23][c:22]5[Cl:1])-[#6@H:26](-[#8:25])-[#6@H:48](-[#7:49]-[#6:51](=[O:50])-[#6@H:52](-[#7:53]-[#6:55](=[O:54])-[#6@@H:56]-4-[#7:57]-[#6:59](=[O:58])-[#6@H:64](-[#6:63]-[#6:62](-[#7:61])=[O:60])-[#7:65]-[#6:67]-1=[O:66])-[c:31]1[c:32][c:33][c:28](-[#8:27])[c:29][c:30]1)-[#6:47](=[O:46])-[#7:45]-[#6@H:44](-[#6:43](=[O:42])-[#16:99]-[#6:98]-[#6:97]-[#7:96]-[#6:94](=[O:95])-[#6:93]-[#6:92]-[#7:91]-[#6:89](=[O:90])-[#6@H:88](-[#8:100])[C:80]([#6:81])([#6:79])[#6:82]-[#8:83][P:84]([#8:87])([#8:86])=[O:85])-[c:41]1[c:40][c:39](-[#8:38])[c:37][c:36](-[#8:35])[c:34]1)[c:12]3-[#8:11])[c:5]([Cl:4])[c:6]2",
"reactions": [
{
"substrate": "CN[C@H](CC(C)C)C(=O)N[C@@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]1C(=O)N[C@H](c2ccc(O)cc2)C(=O)N[C@H](C(=O)N[C@H](C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)O)c2cc(O)cc(O)c2)[C@@H](O)c2ccc(c(Cl)c2)Oc2cc1ccc2O)[C@@H](O)c1ccc(O)c(Cl)c1",
"products": [
"CN[C@H](CC(C)C)C(=O)N[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]2C(=O)N[C@H](c3ccc(O)cc3)C(=O)N[C@H](C(=O)N[C@H](C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)O)c3cc(O)cc(O)c3)[C@@H](O)c3ccc(c(Cl)c3)Oc3cc2cc(c3O)Oc2ccc(cc2Cl)[C@@H]1O"
],
"description": "Introduces the second biaryl-ether crosslink between bht2 and hpg4 in the vancomycin and balhimycin precursor",
"isIntermediate": true
"isIntermediate": true,
"description": "Introduces the second biaryl-ether crosslink between bht2 and hpg4 in the vancomycin and balhimycin precursor"
}
],
"evidence": {
Expand Down