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Contributor submission AclH #895

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Contributor submission AclH #895

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mite-bot Aug 31, 2026
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mite-bot Aug 31, 2026
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66 changes: 66 additions & 0 deletions mite_data/data/ef739368-a521-11f1-a881-7d5f8d37e7b5.json
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Original file line number Diff line number Diff line change
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{
"accession": "MITE9999999",
"status": "pending",
"comment": "Chlorination of dechloroaspirochlorine in the aspirochlorine pathway. No flavin reductase in gene cluster found.",
"changelog": [
{
"version": "1",
"date": "2026-08-31",
"contributors": [
"0009-0000-8651-1669"
],
"reviewers": [
"BBBBBBBBBBBBBBBBBBBBBBBB"
],
"comment": "New entry."
}
],
"enzyme": {
"name": "AclH",
"description": "Flavin-dependent halogenase",
"references": [
"doi:10.1002/anie.201407624",
"doi:10.1002/ange.201806740"
],
"databaseIds": {
"uniprot": "Q2UPC7",
"genpept": "BAE56588.1",
"mibig": "BGC0001123"
},
"cofactors": {
"organic": [
"FAD",
"NAD"
]
}
},
"reactions": [
{
"tailoring": [
"Halogenation"
],
"description": "Chlorination occurs only after subtraction of the phenyl moiety of the precursor through a retro-aldol reaction.",
"reactionSMARTS": "[#6:1]-[#8:2]-[#7:3]1-[#6@:10]23-[#8:18]-[#6:17]4:[#6:12](:[#6:13]:[#6:14]:[#6:15](-[#8:19]):[#6:16]:4)-[#6@@:11]-2\\[#16:20]-[#16:21]-[#6@:6](-[#7:7]-[#6:8]/3=[#8:9])/[#6:4]-1=[#8:5]>>[#6:1]-[#8:2]-[#7:3]1-[#6@:10]23-[#8:18]-[#6:17]4:[#6:12](:[#6:13]:[#6:14](-[Cl]):[#6:15](-[#8:19]):[#6:16]:4)-[#6@@:11]-2\\[#16:20]-[#16:21]-[#6@:6](-[#7:7]-[#6:8]/3=[#8:9])/[#6:4]-1=[#8:5]",
"reactions": [
{
"substrate": "CON1C(=O)[C@H]2NC(=O)[C@]13Oc1cc(O)ccc1[C@@H]3SS2",
"products": [
"CON1C(=O)[C@H]2NC(=O)[C@]13Oc1cc(O)c(Cl)cc1[C@@H]3SS2"
],
"isIntermediate": false,
"description": "Single chlorination of dechloroaspirochlorine to aspirochlorine"
}
],
"evidence": {
"evidenceCode": [
"Heterologous expression",
"In vitro assay",
"Knock-out studies"
],
"references": [
"doi:10.1002/ange.201806740"
]
}
}
]
}
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