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Contributor submission ArmH4 #888

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mite-bot Aug 27, 2026
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mite-bot Aug 27, 2026
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92 changes: 92 additions & 0 deletions mite_data/data/92cfae2c-a205-11f1-a881-7d5f8d37e7b5.json
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{
"accession": "MITE9999999",
"status": "pending",
"comment": "Melleolide halogenation in Armillaria mellea. Putative MiBiG entry has been retired (BGC0001401).",
"changelog": [
{
"version": "1",
"date": "2026-08-27",
"contributors": [
"0009-0000-8651-1669"
],
"reviewers": [
"BBBBBBBBBBBBBBBBBBBBBBBB"
],
"comment": "New entry."
}
],
"enzyme": {
"name": "ArmH4",
"description": "Flavin-dependent halogenase",
"references": [
"doi:10.1128/AEM.03168-15"
],
"databaseIds": {
"uniprot": "A0A0U3AL34",
"genpept": "ALT31851.1"
},
"cofactors": {
"organic": [
"FAD",
"NAD"
]
}
},
"reactions": [
{
"tailoring": [
"Halogenation"
],
"description": "Single chlorination of melleolide F as a representative scaffold for various melleloides.",
"reactionSMARTS": "[#6:1](-[#8:16])-[#6:2]1-[#6@:10]2(\\[#8:29])-[#6@:11](/[#8:17]-[#6:25](=[#8:26])-[#6:24]3:[#6:19](:[#6:20]:[#6:21](-[#8:28]):[#6:22]:[#6:23]:3-[#8:27])-[#6:18])-[#6:12]-[#6@:9]-2(\\[#6:13])-[#6:8]2-[#6:4](-[#6:5]-[#6@:6](/[#6:15])(\\[#6:14])-[#6:7]-2)-[#6:3]=1>>[#6:1](-[#8:16])-[#6:2]1-[#6@:10]2(\\[#8:29])-[#6@:11](/[#8:17]-[#6:25](=[#8:26])-[#6:24]3:[#6:19](:[#6:20](-[Cl]):[#6:21](-[#8:28]):[#6:22]:[#6:23]:3-[#8:27])-[#6:18])-[#6:12]-[#6@:9]-2(\\[#6:13])-[#6:8]2-[#6:4](-[#6:5]-[#6@:6](/[#6:15])(\\[#6:14])-[#6:7]-2)-[#6:3]=1",
"reactions": [
{
"substrate": "Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)C3CC(C)(C)CC3C=C(CO)[C@]12O",
"products": [
"Cc1c(Cl)c(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)C3CC(C)(C)CC3C=C(CO)[C@]12O"
],
"isIntermediate": false,
"description": "Chlorinating melleolide F to 6'-chloromelleolide F"
}
],
"evidence": {
"evidenceCode": [
"Heterologous expression",
"In vitro assay"
],
"references": [
"doi:10.1128/AEM.03168-15"
]
},
"databaseIds": {
"rhea": "67160"
}
},
{
"tailoring": [
"Halogenation"
],
"description": "Single bromination of melleolide F as a representative scaffold for various melleloides.",
"reactionSMARTS": "[#6:1](-[#8:16])-[#6:2]1-[#6@:10]2(\\[#8:29])-[#6@:11](/[#8:17]-[#6:25](=[#8:26])-[#6:24]3:[#6:19](:[#6:20]:[#6:21](-[#8:28]):[#6:22]:[#6:23]:3-[#8:27])-[#6:18])-[#6:12]-[#6@:9]-2(\\[#6:13])-[#6:8]2-[#6:4](-[#6:5]-[#6@:6](/[#6:15])(\\[#6:14])-[#6:7]-2)-[#6:3]=1>>[#6:1](-[#8:16])-[#6:2]1-[#6@:10]2(\\[#8:29])-[#6@:11](/[#8:17]-[#6:25](=[#8:26])-[#6:24]3:[#6:19](:[#6:20](-Br):[#6:21](-[#8:28]):[#6:22]:[#6:23]:3-[#8:27])-[#6:18])-[#6:12]-[#6@:9]-2(\\[#6:13])-[#6:8]2-[#6:4](-[#6:5]-[#6@:6](/[#6:15])(\\[#6:14])-[#6:7]-2)-[#6:3]=1",
"reactions": [
{
"substrate": "Cc1cc(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)C3CC(C)(C)CC3C=C(CO)[C@]12O",
"products": [
"Cc1c(Br)c(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)C3CC(C)(C)CC3C=C(CO)[C@]12O"
],
"isIntermediate": false,
"description": "Brominating melleolide F to 6'-bromomelleolide F"
}
],
"evidence": {
"evidenceCode": [
"Heterologous expression",
"In vitro assay"
],
"references": [
"doi:10.1128/AEM.03168-15"
]
}
}
]
}
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