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Contributor submission NisC #159

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65 changes: 65 additions & 0 deletions mite_data/data/ae8490a2-e48b-11f0-a1a9-8218ec668ab3.json
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{
"accession": "MITE9999999",
"status": "pending",
"comment": "(Methyl-)Lanthionine macrocycle formation relatively flexible. No ATP required for reaction.",
"changelog": [
{
"version": "1",
"date": "2025-12-29",
"contributors": [
"AAAAAAAAAAAAAAAAAAAAAAAA"
],
"reviewers": [
"BBBBBBBBBBBBBBBBBBBBBBBB"
],
"comment": "New entry."
}
],
"enzyme": {
"name": "NisC",
"description": "Lanthionine synthetase",
"references": [
"doi:10.1126/science.1121422",
"doi:10.1007/s00018-007-7171-2"
],
"databaseIds": {
"uniprot": "D9IXB8",
"genpept": "ADJ56355.1",
"mibig": "BGC0000535"
},
"cofactors": {
"inorganic": [
"Zn"
]
}
},
"reactions": [
{
"tailoring": [
"Cyclization"
],
"description": "(Methyl-)lanthionine formation between dehydrated Ser/Thr and Cys on nisin precursor peptide modified by NisB.",
"reactionSMARTS": 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"reactions": [
{
"substrate": "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(=C/C)NC(=O)C(C)NC(=O)/C(=C/C)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(=C/C)NC(=O)C(CCCCN)NC(=O)C(CS)NC(=O)CNC(=O)C1CCCN1C(=O)/C(=C/C)NC(=O)C(CS)NC(=O)C(CC(C)C)NC(=O)C(=C)NC(=O)C(NC(=O)C(=C)NC(=O)/C(=C/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)CC)C(C)CC)C(C)C)C(=O)NC(CCCCN)C(=O)O",
"products": [
"C=C1NC(=O)C(C(C)CC)NC(=O)C(NC(=O)C(=CC)NC(=O)C(NC(=O)C(CCCNC(=N)N)NC(=O)C2CCCN2C(=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(Cc2ccccc2)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)CSCC(C(=O)NC2C(=O)N3CCCC3C(=O)NCC(=O)NC(C(=O)NC(CCCCN)C(=O)NC3C(=O)NCC(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(CCSC)C(=O)NCC(=O)NC(C(=O)NC(CC(N)=O)C(=O)NC(CCSC)C(=O)NC(CCCCN)C(=O)NC4C(=O)NC(C)C(=O)NC5C(=O)NC(CSC4C)C(=O)NC(Cc4c[nH]cn4)C(=O)NC(C(=O)NC(CO)C(=O)NC(C(=O)NC(Cc4c[nH]cn4)C(=O)NC(C(=O)NC(CO)C(=O)NC(CCCCN)C(=O)O)C(C)C)C(C)CC)CSC5C)CSC3C)CSC2C)NC(=O)C(CC(C)C)NC1=O"
],
"isIntermediate": true,
"description": "Macrocyclisation of dehydrated nisin A precursor peptid during maturation."
}
],
"evidence": {
"evidenceCode": [
"Heterologous expression",
"In vitro assay",
"Site-directed mutagenesis"
],
"references": [
"doi:10.1126/science.1121422"
]
}
}
]
}