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Contributor submission NosE #168

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105 changes: 105 additions & 0 deletions mite_data/data/4bf7f846-e5b4-11f0-abdb-8218ec668ab3.json
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{
"accession": "MITE9999999",
"status": "pending",
"comment": "NosE dehydratates Ser/Thr residues together with NosD analogous to the lanthipeptide dehydratase LanB. MIA-addition by NosIJK increases catalytic efficiency but is not essential.",
"changelog": [
{
"version": "1",
"date": "2025-12-30",
"contributors": [
"AAAAAAAAAAAAAAAAAAAAAAAA"
],
"reviewers": [
"BBBBBBBBBBBBBBBBBBBBBBBB"
],
"comment": "New entry."
}
],
"enzyme": {
"name": "NosE",
"description": "Dehydratase",
"references": [
"doi:10.1021/jacs.5c03922",
"doi:10.1021/cb900133x"
],
"auxiliaryEnzymes": [
{
"name": "NosD",
"description": "Dehydratase",
"databaseIds": {
"uniprot": "UPI0001AABFA5",
"genpept": "ACR48333.1"
}
}
],
"databaseIds": {
"uniprot": "UPI0001AABFA6",
"genpept": "ACR48334.1",
"mibig": "BGC0000610"
},
"cofactors": {
"organic": [
"Adenosine triphosphate"
],
"inorganic": [
"Mg"
]
}
},
"reactions": [
{
"tailoring": [
"Dehydration"
],
"description": "Dehydratation of Ser/Thr residues to Dha/Dhb in the biosynthetic pathway of nosiheptide, after NosIJK-catalyzed addition of MIA. Current knowledge indicates that the full leader peptide is required for substrate recognition.",
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"reactions": [
{
"substrate": "CCC(C)C(NC(=O)C(CC(=O)O)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)NC(=O)C(CO)NC(=O)C(CC(C)C)NC(=O)C(Cc1c[nH]cn1)NC(=O)C(C)NC(=O)C(C)NC(=O)C(CC(=O)O)NC(=O)C(N)CCSC)C(=O)NC(CC(=O)O)C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(C(=O)NC(CO)C(=O)NC(CCC(=O)O)C(=O)NC(Cc1ccccc1)C(=O)NC(CC(C)C)C(=O)NC(CC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(CO)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(CC(=O)O)C(=O)NC(CO)C(=O)NC(CCC(=O)O)C(=O)NC(C(=O)NC(C(=O)NC(C)C(=O)NC(CCCCN)C(=O)NC(C(=O)NC(CCSC)C(=O)NC(CO)C(=O)NC(C)C(=O)NC(CO)c1nc(C(=O)NC(C(=O)NC(c2nc(C(=O)NC(CCC(=O)O)c3nc(C(=O)NC(CSC(=O)c4[nH]c5ccccc5c4C)c4nc(C(=O)NC(CO)c5nc(C(=O)NC(CO)C(=O)NC(CO)C(=O)O)cs5)cs4)cs3)cs2)C(C)O)C(C)O)cs1)C(C)C)C(C)C)C(C)C)C(C)CC",
"products": [
"C=C(NC(=O)C(=C)NC(=O)c1csc(C(=C)NC(=O)c2csc(C(CSC(=O)c3[nH]c4ccccc4c3C)NC(=O)c3csc(C(CCC(=O)O)NC(=O)c4csc(C(=CC)NC(=O)C(NC(=O)c5csc(C(=C)NC(=O)C(C)NC(=O)C(CO)NC(=O)C(CCSC)NC(=O)C(NC(=O)C(CCCCN)NC(=O)C(C)NC(=O)C(NC(=O)C(NC(=O)C(CCC(=O)O)NC(=O)C(CO)NC(=O)C(CC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CC(C)C)NC(=O)C(CCCNC(=N)N)NC(=O)C(CO)NC(=O)C(CCC(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CC(C)C)NC(=O)C(Cc6ccccc6)NC(=O)C(CCC(=O)O)NC(=O)C(CO)NC(=O)C(NC(=O)C(CCC(=O)O)NC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C(CC(=O)O)NC(=O)C(NC(=O)C(CC(=O)O)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)NC(=O)C(CO)NC(=O)C(CC(C)C)NC(=O)C(Cc6c[nH]cn6)NC(=O)C(C)NC(=O)C(C)NC(=O)C(CC(=O)O)NC(=O)C(N)CCSC)C(C)CC)C(C)CC)C(C)C)C(C)C)C(C)C)n5)C(C)O)n4)n3)n2)n1)C(=O)O"
],
"isIntermediate": true,
"description": "Dehydratation of Ser/Thr residues on nascent NosM precursor peptide."
}
],
"evidence": {
"evidenceCode": [
"Heterologous expression",
"In vitro assay",
"Knock-out studies"
],
"references": [
"doi:10.1021/jacs.5c03922"
]
}
},
{
"tailoring": [
"Dehydration"
],
"description": "Dehydratation of Ser/Thr residues to Dha/Dhb in the biosynthetic pathway of nosiheptide, without attached MIA heterocycle (in vitro reaction). Current knowledge indicates that the full leader peptide is required for substrate recognition.",
"reactionSMARTS": 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"reactions": [
{
"substrate": "CCC(C)C(NC(=O)C(CC(=O)O)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)NC(=O)C(CO)NC(=O)C(CC(C)C)NC(=O)C(Cc1c[nH]cn1)NC(=O)C(C)NC(=O)C(C)NC(=O)C(CC(=O)O)NC(=O)C(N)CCSC)C(=O)NC(CC(=O)O)C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(C(=O)NC(CO)C(=O)NC(CCC(=O)O)C(=O)NC(Cc1ccccc1)C(=O)NC(CC(C)C)C(=O)NC(CC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(CO)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(CC(=O)O)C(=O)NC(CO)C(=O)NC(CCC(=O)O)C(=O)NC(C(=O)NC(C(=O)NC(C)C(=O)NC(CCCCN)C(=O)NC(C(=O)NC(CCSC)C(=O)NC(CO)C(=O)NC(C)C(=O)NC(CO)c1nc(C(=O)NC(C(=O)NC(c2nc(C(=O)NC(CCC(=O)O)c3nc(C(=O)NC(CS)c4nc(C(=O)NC(CO)c5nc(C(=O)NC(CO)C(=O)NC(CO)C(=O)O)cs5)cs4)cs3)cs2)C(C)O)C(C)O)cs1)C(C)C)C(C)C)C(C)C)C(C)CC",
"products": [
"C=C(NC(=O)C(=C)NC(=O)c1csc(C(=C)NC(=O)c2csc(C(CS)NC(=O)c3csc(C(CCC(=O)O)NC(=O)c4csc(C(=CC)NC(=O)C(NC(=O)c5csc(C(=C)NC(=O)C(C)NC(=O)C(CO)NC(=O)C(CCSC)NC(=O)C(NC(=O)C(CCCCN)NC(=O)C(C)NC(=O)C(NC(=O)C(NC(=O)C(CCC(=O)O)NC(=O)C(CO)NC(=O)C(CC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CC(C)C)NC(=O)C(CCCNC(=N)N)NC(=O)C(CO)NC(=O)C(CCC(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CC(C)C)NC(=O)C(Cc6ccccc6)NC(=O)C(CCC(=O)O)NC(=O)C(CO)NC(=O)C(NC(=O)C(CCC(=O)O)NC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C(CC(=O)O)NC(=O)C(NC(=O)C(CC(=O)O)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)O)NC(=O)C(CO)NC(=O)C(CC(C)C)NC(=O)C(Cc6c[nH]cn6)NC(=O)C(C)NC(=O)C(C)NC(=O)C(CC(=O)O)NC(=O)C(N)CCSC)C(C)CC)C(C)CC)C(C)C)C(C)C)C(C)C)n5)C(C)O)n4)n3)n2)n1)C(=O)O"
],
"isIntermediate": true,
"description": "Dehydratation of Ser/Thr residues on nascent NosM precursor peptide."
}
],
"evidence": {
"evidenceCode": [
"Heterologous expression",
"In vitro assay",
"Knock-out studies"
],
"references": [
"doi:10.1021/jacs.5c03922"
]
}
}
]
}