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65 changes: 65 additions & 0 deletions mite_data/data/MITE9999999.json
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{
"accession": "MITE9999999",
"status": "active",
"comment": "Glycosyltransferase involved in the last biosynthetic step of nystatin A1",
"changelog": [
{
"version": "1",
"date": "2026-04-14",
"contributors": [
"0000-0001-5730-3326"
],
"reviewers": [
"0000-0003-4819-2251"
],
"comment": "Fixed reaction SMARTS and substrate/product SMILES, reaction description, evidence qualifier, refereces."
}
],
"enzyme": {
"name": "NysDI",
"description": "Mycosaminyltransferase ",
"references": [
"doi:10.1007/s00253-004-1802-4",
"doi:10.1002/cbic.200800349"
],
"databaseIds": {
"uniprot": "Q9L4W6",
"genpept": "AAF71773.1",
"mibig": "BGC0000115"
},
"cofactors": {
"inorganic": [
"Mg"
]
}
},
"reactions": [
{
"tailoring": [
"Glycosylation"
],
"description": "O-glycosylation of polyene aglycon",
"reactionSMARTS": "[#6@:1]1(/[#8:48])-[#6@@:3](\\[#6:50])-[#6@:4](\\[#6:51])-[#8:5]-[#6:6](-[#6:8]-[#6@:9](/[#8:12])-[#6:10]-[#6@:11](/[#8:16])-[#6:13]-[#6@:14](/[#8:17])-[#6:15]-[#6:18]-[#6@@:19](/[#8:55])-[#6@@:20](-[#6:22]-[#6@:23]2(/[#8:49])-[#6:25]-[#6@@:26](-[#6@:28](-[#6@@:52](\\[#8:24]-2)-[#6:29]-[#6@:31](-[#6:33]=[#6:34]-[#6:35]=[#6:36]-[#6:37]=[#6:38]-[#6:39]=[#6:40]-[#6:41]-[#6:42]-[#6:43]=[#6:44]-[#6:45]=[#6:46]-[#6@@:2]-1\\[#6:47])/[#8:32])/[#6:30](-[#8:54])=[#8:53])\\[#8:27])/[#8:21])=[#8:7]>>[#6@:1]1(/[#8:48])-[#6@@:3](\\[#6:50])-[#6@:4](\\[#6:51])-[#8:5]-[#6:6](-[#6:8]-[#6@:9](/[#8:12])-[#6:10]-[#6@:11](/[#8:16])-[#6:13]-[#6@:14](/[#8:17])-[#6:15]-[#6:18]-[#6@@:19](/[#8:55])-[#6@@:20](-[#6:22]-[#6@:23]2(/[#8:49])-[#6:25]-[#6@@:26](-[#6@:28](-[#6@@:52](\\[#8:24]-2)-[#6:29]-[#6@:31](-[#6:33]=[#6:34]-[#6:35]=[#6:36]-[#6:37]=[#6:38]-[#6:39]=[#6:40]-[#6:41]-[#6:42]-[#6:43]=[#6:44]-[#6:45]=[#6:46]-[#6@@:2]-1\\[#6:47])/[#8:32]-[#6@@]1-[#8]-[#6](-[#6@](/[#6@@](-[#7])/[#6]/1-[#8])-[#8])-[#6])/[#6:30](-[#8:54])=[#8:53])\\[#8:27])/[#8:21])=[#8:7]",
"reactions": [
{
"substrate": "C[C@@H]1[C@H](O)[C@@H](C)/C=C/C=C/CC/C=C/C=C/C=C/C=C/[C@H](O)C[C@@H]2O[C@](O)(C[C@@H](O)[C@H](O)CC[C@@H](O)C[C@@H](O)C[C@@H](O)CC(=O)O[C@H]1C)C[C@H](O)[C@H]2C(=O)O",
"products": [
"CC1O[C@@H](O[C@H]2C=CC=CC=CC=CCCC=CC=C[C@H](C)[C@@H](O)[C@@H](C)[C@H](C)OC(=O)C[C@H](O)C[C@H](O)C[C@H](O)CC[C@@H](O)[C@H](O)C[C@]3(O)C[C@H](O)[C@@H](C(=O)O)[C@H](C2)O3)C(O)[C@H](N)[C@@H]1O"
],
"isIntermediate": true,
"description": "O-glycosylation of nystatin A1 aglycon with mycosamine group to yield final product nystatin A1 "
}
],
"evidence": {
"evidenceCode": [
"Inference from genomic data and chemical structure",
"In vitro assay"
],
"references": [
"doi:10.1007/s00253-004-1802-4",
"doi:10.1002/cbic.200800349"
]
}
}
]
}
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