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Contributor submission NisB #158

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69 changes: 69 additions & 0 deletions mite_data/data/c56f04ea-e41e-11f0-b8d3-8218ec668ab3.json
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{
"accession": "MITE9999999",
"status": "pending",
"comment": "Dehydration relatively flexible, with hydrophobic flanking AAs preferred. Ser29 (non-dehydrated in vivo) could be dehydrated in vitro. Glutamate is also required as cofactor.",
"changelog": [
{
"version": "1",
"date": "2025-12-28",
"contributors": [
"AAAAAAAAAAAAAAAAAAAAAAAA"
],
"reviewers": [
"BBBBBBBBBBBBBBBBBBBBBBBB"
],
"comment": "New entry."
}
],
"enzyme": {
"name": "NisB",
"description": "Dehydratase",
"references": [
"doi:10.1021/bi050081h",
"doi:10.1007/s00018-007-7171-2",
"doi:10.1073/pnas.1222488110"
],
"databaseIds": {
"uniprot": "D9IXB6",
"genpept": "ADJ56353.1",
"mibig": "BGC0000535"
},
"cofactors": {
"organic": [
"Adenosine triphosphate"
],
"inorganic": [
"Mg"
]
}
},
"reactions": [
{
"tailoring": [
"Dehydration"
],
"description": "Dehydration of ser/thr in nisin A precursor peptide. Leader peptide with FNLD sequence (\"box\") essential for recognition. ",
"reactionSMARTS": 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"reactions": [
{
"substrate": "CCC(C)C(NC(=O)C(CO)NC(=O)C(NC(=O)C(NC(=O)C(CCCNC(=N)N)NC(=O)C1CCCN1C(=O)C(CO)NC(=O)C(C)NC(=O)CNC(=O)C(CO)NC(=O)C(CC(=O)O)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(CO)NC(=O)C(NC(=O)C(CO)NC(=O)C(NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)NC(=O)C(CC(C)C)NC(=O)C(CC(N)=O)NC(=O)C(Cc1ccccc1)NC(=O)C(CC(=O)O)NC(=O)C(CCCCN)NC(=O)C(NC(=O)C(CO)NC(=O)C(N)CCSC)C(C)O)C(C)C)C(C)C)C(C)CC)C(C)O)C(=O)NC(CO)C(=O)NC(CC(C)C)C(=O)NC(CS)C(=O)NC(C(=O)N1CCCC1C(=O)NCC(=O)NC(CS)C(=O)NC(CCCCN)C(=O)NC(C(=O)NCC(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(CCSC)C(=O)NCC(=O)NC(CS)C(=O)NC(CC(N)=O)C(=O)NC(CCSC)C(=O)NC(CCCCN)C(=O)NC(C(=O)NC(C)C(=O)NC(C(=O)NC(CS)C(=O)NC(Cc1c[nH]cn1)C(=O)NC(CS)C(=O)NC(CO)C(=O)NC(C(=O)NC(Cc1c[nH]cn1)C(=O)NC(C(=O)NC(CO)C(=O)NC(CCCCN)C(=O)O)C(C)C)C(C)CC)C(C)O)C(C)O)C(C)O)C(C)O",
"products": [
"C=C(NC(=O)C(NC(=O)C(Cc1c[nH]cn1)NC(=O)C(NC(=O)C(CO)NC(=O)C(CS)NC(=O)C(Cc1c[nH]cn1)NC(=O)C(CS)NC(=O)C(=CC)NC(=O)C(C)NC(=O)C(=CC)NC(=O)C(CCCCN)NC(=O)C(CCSC)NC(=O)C(CC(N)=O)NC(=O)C(CS)NC(=O)CNC(=O)C(CCSC)NC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)CNC(=O)C(=CC)NC(=O)C(CCCCN)NC(=O)C(CS)NC(=O)CNC(=O)C1CCCN1C(=O)C(=CC)NC(=O)C(CS)NC(=O)C(CC(C)C)NC(=O)C(=C)NC(=O)C(NC(=O)C(=C)NC(=O)C(=CC)NC(=O)C(NC(=O)C(CCCNC(=N)N)NC(=O)C1CCCN1C(=O)C(CO)NC(=O)C(C)NC(=O)CNC(=O)C(CO)NC(=O)C(CC(=O)O)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(CO)NC(=O)C(NC(=O)C(CO)NC(=O)C(NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)NC(=O)C(CC(C)C)NC(=O)C(CC(N)=O)NC(=O)C(Cc1ccccc1)NC(=O)C(CC(=O)O)NC(=O)C(CCCCN)NC(=O)C(NC(=O)C(CO)NC(=O)C(N)CCSC)C(C)O)C(C)C)C(C)C)C(C)CC)C(C)CC)C(C)CC)C(C)C)C(=O)NC(CCCCN)C(=O)O"
],
"isIntermediate": true,
"description": "Dehydration of the NisA precursor peptide. Ser29 is not dehydrated."
}
],
"evidence": {
"evidenceCode": [
"Heterologous expression",
"Knock-out studies",
"Surface plasmon resonance"
],
"references": [
"doi:10.1074/jbc.M111.263210"
]
}
}
]
}