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74 changes: 74 additions & 0 deletions mite_data/data/769a7f0a-5095-11f1-9ef6-bb4e59819b6d.json
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{
"accession": "MITE9999999",
"status": "pending",
"comment": "Oxidative ring rearrangement and decarboxylation of 7-chloro-L-tryptophan to monodechloroaminopyrrolnitrin.",
"changelog": [
{
"version": "1",
"date": "2026-05-15",
"contributors": [
"0009-0005-2489-2079"
],
"reviewers": [
"BBBBBBBBBBBBBBBBBBBBBBBB"
],
"comment": "New entry."
}
],
"enzyme": {
"name": "PrnB",
"description": "Heme-dependent oxygenase",
"references": [
"doi:10.1021/bi7012189"
],
"databaseIds": {
"uniprot": "P95481",
"genpept": "ABW69175.1",
"mibig": "BGC0000924"
},
"cofactors": {
"organic": [
"Heme"
]
}
},
"reactions": [
{
"tailoring": [
"Decarboxylation",
"Heterocyclization",
"Oxidation",
"Ring contraction"
],
"description": "Oxidative indole ring rearrangement and decarboxylation of 7-chloro-L-tryptophan to monodechloroaminopyrrolnitrin.",
"reactionSMARTS": "N[C@@H](Cc1c[nH]c2c(Cl)cccc12)C(=O)O>>Nc1c(Cl)cccc1-c1cc[nH]c1",
"reactions": [
{
"substrate": "N[C@@H](Cc1c[nH]c2c(Cl)cccc12)C(=O)O",
"products": [
"Nc1c(Cl)cccc1-c1cc[nH]c1"
],
"isIntermediate": true,
"description": "PrnB converts 7-chloro-L-tryptophan to monodechloroaminopyrrolnitrin by oxidative indole rearrangement and decarboxylation."
}
],
"evidence": {
"evidenceCode": [
"Heterologous expression",
"Inference from genomic data and chemical structure",
"In vitro assay",
"Knock-out studies",
"Site-directed mutagenesis"
],
"references": [
"doi:10.1021/bi7012189",
"doi:10.1074/jbc.M110.120485",
"doi:10.1016/j.jbc.2024.108123"
]
},
"databaseIds": {
"rhea": "50952"
}
}
]
}
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