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Contributor submission Nat1 #899

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18af454
Add submission UUID file
mite-bot Sep 2, 2026
aabd2f4
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mite-bot Sep 4, 2026
605a2a9
Delete mite_data/data/f6d9dd92-a6c0-11f1-b4b1-cf84655b59e7.json
mite-bot Sep 9, 2026
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mite-bot Sep 9, 2026
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88 changes: 88 additions & 0 deletions mite_data/data/MITE9999999.json
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{
"accession": "MITE9999999",
"status": "active",
"comment": "Halogenation of naphthomycin E in the naphthomycin A pathway. Cross complementation of nat1 by asm12 in their biosynthetic pathways, respectively.",
"changelog": [
{
"version": "1",
"date": "2026-09-02",
"contributors": [
"0009-0000-8651-1669"
],
"reviewers": [
"0000-0001-6534-6609"
],
"comment": "New entry. Reviewer 1 fixed reaction specificity."
}
],
"enzyme": {
"name": "Nat1",
"description": "Flavin-dependent halogenase",
"references": [
"doi:10.1039/C1MB05036B"
],
"databaseIds": {
"uniprot": "F8QPG4",
"genpept": "ADM46362.1",
"mibig": "BGC0000106"
},
"cofactors": {
"organic": [
"FAD",
"NAD"
]
}
},
"reactions": [
{
"tailoring": [
"Halogenation"
],
"description": "Chlorination of naphthomycin E.",
"reactionSMARTS": "[#6:1]\\[#6@@:2]1-[#6@@:40](/[#8:41])-[#6:39]-[#6:37](=[#8:38])-[#6:36](-[#6:42])=[#6:35]-[#6:34]-[#6@:33](/[#8:43])-[#6:32]=[#6:31]-[#6@:30](\\[#6:44])-[#6@:29](/[#8:45])-[#6@@:28](\\[#6:46])-[#6:27]=[#6:26](-[#6:47])-[#6:24](=[#8:25])-[#6:23]2:[#6:16]3:[#6:17](:[#6:20]:[#6:21](-[#6:49]):[#6:22]:2-[#8:48])-[#6:18](=[#8:19])-[#6:12](=[#6:13]-[#6:14]-3=[#8:15])-[#7:11]-[#6:9](=[#8:10])-[#6:8](-[#6:50])=[#6:7]-[#6:6]=[#6:5]-[#6:4]=[#6:3]-1>>[#6:1]\\[#6@@:2]1-[#6@@:40](/[#8:41])-[#6:39]-[#6:37](=[#8:38])-[#6:36](-[#6:42])=[#6:35]-[#6:34]-[#6@:33](/[#8:43])-[#6:32]=[#6:31]-[#6@:30](\\[#6:44])-[#6@:29](/[#8:45])-[#6@@:28](\\[#6:46])-[#6:27]=[#6:26](-[#6:47])-[#6:24](=[#8:25])-[#6:23]2:[#6:16]3:[#6:17](:[#6:20]:[#6:21](-[#6:49]):[#6:22]:2-[#8:48])-[#6:18](=[#8:19])-[#6:12](=[#6:13](-[Cl])-[#6:14]-3=[#8:15])-[#7:11]-[#6:9](=[#8:10])-[#6:8](-[#6:50])=[#6:7]-[#6:6]=[#6:5]-[#6:4]=[#6:3]-1",
"reactions": [
{
"substrate": "C/C1=C/C=C\\C=C\\[C@H](C)[C@@H](O)CC(=O)/C(C)=C/C[C@H](O)/C=C/[C@H](C)[C@H](O)[C@@H](C)/C=C(\\C)C(=O)c2c(O)c(C)cc3c2C(=O)C=C(NC1=O)C3=O",
"products": [
"CC1=CC[C@H](O)C=C[C@H](C)[C@H](O)[C@@H](C)C=C(C)C(=O)c2c(O)c(C)cc3c2C(=O)C(Cl)=C(NC(=O)C(C)=CC=CC=C[C@H](C)[C@@H](O)CC1=O)C3=O"
],
"isIntermediate": true,
"description": "Single chlorination of C-30 of naphthomycin E to naphthomycin A"
}
],
"evidence": {
"evidenceCode": [
"Knock-out studies"
],
"references": [
"doi:10.1039/C1MB05036B"
]
}
},
{
"tailoring": [
"Halogenation"
],
"description": "Chlorination of proansamitocin (Putative Asm12 substrate) in the ansamitocin P-3 pathway ",
"reactionSMARTS": "[#6:1]\\[#6@@:2]1-[#6@@:25](\\[#8:26])-[#6:24]-[#6:22](=[#8:23])-[#6@:21](\\[#8:27]-[#6:28])-[#6:20]=[#6:19]-[#6:18]=[#6:17](-[#6:29])-[#6:16]-[#6:14]2:[#6:15]:[#6:10](:[#6:11]:[#6:12](-[#8:30]):[#6:13]:2)-[#7:9]-[#6:7](=[#8:8])-[#6:6]-[#6@:5](/[#8:31])-[#6:4](-[#6:32])=[#6:3]-1>>[#6:1]\\[#6@@:2]1-[#6@@:25](\\[#8:26])-[#6:24]-[#6:22](=[#8:23])-[#6@:21](\\[#8:27]-[#6:28])-[#6:20]=[#6:19]-[#6:18]=[#6:17](-[#6:29])-[#6:16]-[#6:14]2:[#6:15]:[#6:10](:[#6:11](-[Cl]):[#6:12](-[#8:30]):[#6:13]:2)-[#7:9]-[#6:7](=[#8:8])-[#6:6]-[#6@:5](/[#8:31])-[#6:4](-[#6:32])=[#6:3]-1",
"reactions": [
{
"substrate": "CO[C@@H]1/C=C/C=C(\\C)Cc2cc(O)cc(c2)NC(=O)C[C@H](O)/C(C)=C/[C@H](C)[C@@H](O)CC1=O",
"products": [
"CO[C@@H]1C=CC=C(C)Cc2cc(O)c(Cl)c(c2)NC(=O)C[C@H](O)C(C)=C[C@H](C)[C@@H](O)CC1=O"
],
"isIntermediate": true,
"description": "Single chlorination of proansamitocin"
}
],
"evidence": {
"evidenceCode": [
"Knock-out studies"
],
"references": [
"doi:10.1039/C1MB05036B"
]
}
}
]
}
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