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66 changes: 66 additions & 0 deletions mite_data/data/11b4f584-e70e-11f0-a1a9-8218ec668ab3.json
Original file line number Diff line number Diff line change
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{
"accession": "MITE9999999",
"status": "pending",
"comment": "To date, there is no hard experimental proof for the tryptophan-hydroxylation by NotG.",
"changelog": [
{
"version": "1",
"date": "2026-01-01",
"contributors": [
"AAAAAAAAAAAAAAAAAAAAAAAA"
],
"reviewers": [
"BBBBBBBBBBBBBBBBBBBBBBBB"
],
"comment": "New entry."
}
],
"enzyme": {
"name": "NotG",
"description": "Cytochrome P450",
"references": [
"doi:10.1021/ja1049302",
"doi:10.1039/C2MD20029E"
],
"databaseIds": {
"uniprot": "E1ACQ2",
"genpept": "ADM34140.1",
"mibig": "BGC0001084"
},
"cofactors": {
"organic": [
"Heme"
],
"inorganic": [
"Fe"
]
}
},
"reactions": [
{
"tailoring": [
"Hydroxylation"
],
"description": "Hydroxylation of deoxybrevianamide E in notoamide biosynthetic pathway.",
"reactionSMARTS": "[#6@:1]12-[#6:20](=[#8:21])-[#7:19]-[#6@@:8](/[#6:9]-[#6:10]3:[#6:18]4:[#6:13](:[#6:14]:[#6:15]:[#6:16]:[#6:17]:4):[n&H1:12]:[#6:11]:3-[#6:22](-[#6:25])(-[#6:24])-[#6:23]=[#6:26])-[#6:6](=[#8:7])-[#7:5]-1-[#6:4]-[#6:3]-[#6:2]/2>>[#6@:1]12-[#6:20](=[#8:21])-[#7:19]-[#6@@:8](/[#6:9]-[#6:10]3:[#6:18]4:[#6:13](:[#6:14]:[#6:15](-[#8]):[#6:16]:[#6:17]:4):[n&H1:12]:[#6:11]:3-[#6:22](-[#6:25])(-[#6:24])-[#6:23]=[#6:26])-[#6:6](=[#8:7])-[#7:5]-1-[#6:4]-[#6:3]-[#6:2]/2",
"reactions": [
{
"substrate": "C=CC(C)(C)c1[nH]c2ccccc2c1C[C@@H]1NC(=O)[C@@H]2CCCN2C1=O",
"products": [
"C=CC(C)(C)c1[nH]c2cc(O)ccc2c1C[C@@H]1NC(=O)[C@@H]2CCCN2C1=O"
],
"isIntermediate": true,
"description": "Hydroxylation of deoxybrevianamide E to 6-OH deoxybrevianamide E."
}
],
"evidence": {
"evidenceCode": [
"Inference from genomic data and chemical structure"
],
"references": [
"doi:10.1021/ja1049302"
]
}
}
]
}