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Contributor submission NosA #172

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61 changes: 61 additions & 0 deletions mite_data/data/80569c42-e68a-11f0-b8d3-8218ec668ab3.json
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{
"accession": "MITE9999999",
"status": "pending",
"comment": "Part of the NosABC hydroxylation cascade, leading to mature nosiheptide.",
"changelog": [
{
"version": "1",
"date": "2025-12-31",
"contributors": [
"AAAAAAAAAAAAAAAAAAAAAAAA"
],
"reviewers": [
"BBBBBBBBBBBBBBBBBBBBBBBB"
],
"comment": "New entry."
}
],
"enzyme": {
"name": "NosA",
"description": "Terminal amide synthase",
"references": [
"doi:10.1002/cbic.201300427",
"doi:10.1107/S2053230X15011085",
"doi:10.1021/cb900133x"
],
"databaseIds": {
"uniprot": "C6FX40",
"genpept": "ACR48330.1",
"mibig": "BGC0000610"
}
},
"reactions": [
{
"tailoring": [
"Other"
],
"description": "NosA cleaves C-alpha-N bond of terminal enamine in nosiheptide maturation. Presence of hydroxylated pyridin is essential for substrate recognition.",
"reactionSMARTS": "[#6]=[#6](-[#6](-[#8])=[#8])-[#7:3]-[#6:4](-[#6:6](-[#7:8]-[#6:9](-[#6:11]1:[#7:84]:[#6:14](-[#6:15]2:[#7:17]:[#6:18]3-[#6:20]4:[#7:83]:[#6:23](-[#6:24]5-[#7:82]-[#6:80](=[#8:81])-[#6:77]6:[#6:78]:[#16:79]:[#6:75](:[#7:76]:6)-[#6:45](-[#7:46]-[#6:47](-[#6:49]6:[#7:74]:[#6:52](-[#6:53](-[#7:56]-[#6:57](-[#6:59](-[#6:71](-[#8:73])-[#6:72])-[#7:60]-[#6:61](-[#6:63]7:[#7:70]:[#6:66](-[#6:67]:3:[#6:68]:[#6:16]:2-[#8:200]):[#16:65]:[#6:64]:7)=[#8:62])=[#8:58])=[#6:54]-[#6:55]):[#16:51]:[#6:50]:6)=[#8:48])-[#6:44]-[#6:43]-[#6:41](=[#8:42])-[#8:40]-[#6:39]-[#6:35]2:[#6:36]3:[#6:37](-[#6:38]):[#6:29](:[n&H1:30]:[#6:31]:3:[#6:32]:[#6:33]:[#6:34]:2)-[#6:27](=[#8:28])-[#16:26]-[#6:25]-5):[#16:22]:[#6:21]:4):[#16:13]:[#6:12]:1)=[#8:10])=[#6:7])=[#8:5]>>[#7:3]-[#6:4](-[#6:6](-[#7:8]-[#6:9](-[#6:11]1:[#7:84]:[#6:14](-[#6:15]2:[#7:17]:[#6:18]3-[#6:20]4:[#7:83]:[#6:23](-[#6:24]5-[#7:82]-[#6:80](=[#8:81])-[#6:77]6:[#6:78]:[#16:79]:[#6:75](:[#7:76]:6)-[#6:45](-[#7:46]-[#6:47](-[#6:49]6:[#7:74]:[#6:52](-[#6:53](-[#7:56]-[#6:57](-[#6:59](-[#6:71](-[#8:73])-[#6:72])-[#7:60]-[#6:61](-[#6:63]7:[#7:70]:[#6:66](-[#6:67]:3:[#6:68]:[#6:16]:2-[#8:200]):[#16:65]:[#6:64]:7)=[#8:62])=[#8:58])=[#6:54]-[#6:55]):[#16:51]:[#6:50]:6)=[#8:48])-[#6:44]-[#6:43]-[#6:41](=[#8:42])-[#8:40]-[#6:39]-[#6:35]2:[#6:36]3:[#6:37](-[#6:38]):[#6:29](:[n&H1:30]:[#6:31]:3:[#6:32]:[#6:33]:[#6:34]:2)-[#6:27](=[#8:28])-[#16:26]-[#6:25]-5):[#16:22]:[#6:21]:4):[#16:13]:[#6:12]:1)=[#8:10])=[#6:7])=[#8:5]",
"reactions": [
{
"substrate": "C=C(NC(=O)C(=C)NC(=O)c1csc(-c2nc3c(cc2O)-c2nc(cs2)C(=O)NC(C(C)O)C(=O)NC(=CC)c2nc(cs2)C(=O)NC2CCC(=O)OCc4cccc5[nH]c(c(C)c45)C(=O)SCC(NC(=O)c4csc2n4)c2nc-3cs2)n1)C(=O)O",
"products": [
"C=C(NC(=O)c1csc(-c2nc3c(cc2O)-c2nc(cs2)C(=O)NC(C(C)O)C(=O)NC(=CC)c2nc(cs2)C(=O)NC2CCC(=O)OCc4cccc5[nH]c(c(C)c45)C(=O)SCC(NC(=O)c4csc2n4)c2nc-3cs2)n1)C(N)=O"
],
"isIntermediate": true,
"description": "Dealkylation of terminal enamine in nosiheptide biosynthesis."
}
],
"evidence": {
"evidenceCode": [
"Heterologous expression",
"In vitro assay",
"Knock-out studies"
],
"references": [
"doi:10.1002/cbic.201300427"
]
}
}
]
}