diff --git a/mite_data/data/35f379e4-b453-11f1-b4b1-cf84655b59e7.json b/mite_data/data/35f379e4-b453-11f1-b4b1-cf84655b59e7.json new file mode 100644 index 000000000..4fd07dff3 --- /dev/null +++ b/mite_data/data/35f379e4-b453-11f1-b4b1-cf84655b59e7.json @@ -0,0 +1,118 @@ +{ + "accession": "MITE9999999", + "status": "pending", + "comment": "ApyO catalyzes biaryl C\u2013C cross-link between two Tyr residues in the core motif YLYD during aminopyruvatide biosynthesis and shows promiscuous substrate specificity.", + "changelog": [ + { + "version": "1", + "date": "2026-09-19", + "contributors": [ + "0009-0008-8086-5325" + ], + "reviewers": [ + "BBBBBBBBBBBBBBBBBBBBBBBB" + ], + "comment": "New entry." + } + ], + "enzyme": { + "name": "ApyO", + "description": "Cytochrome P450", + "references": [ + "doi:10.1021/acscentsci.4c00088", + "doi:10.1002/anie.7714055" + ], + "databaseIds": { + "uniprot": "UPI0000667736", + "genpept": "ABC35200.1" + }, + "cofactors": { + "organic": [ + "Heme" + ], + "inorganic": [ + "Fe" + ] + } + }, + "reactions": [ + { + "tailoring": [ + "Biaryl bond formation", + "Cyclization", + "Oxidation" + ], + "description": "ApyO catalyzes biaryl C\u2013C cross-link between Y-Y in the core motif YLYD of precursor peptide ApyA", + "reactionSMARTS": 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+ "reactions": [ + { + "substrate": "CCC(C)C(NC(=O)C(C)NC(=O)C(CCCCN)NC(=O)C(NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(C)NC(=O)C(CC(=O)O)NC(=O)C(NC(=O)C1CCCN1C(=O)C(CCSC)NC(=O)C(CC(=O)O)NC(=O)C(CC(C)C)NC(=O)C(NC(=O)C(CCSC)NC(=O)C(CCCCN)NC(=O)C1CCCN1C(=O)C(CC(C)C)NC(=O)C(CCCCN)NC(=O)CNC(=O)C(CCC(=O)O)NC(=O)C(NC(=O)C(CO)NC(=O)C(NC(=O)C(CO)NC(=O)C(NC(=O)CNC(=O)C(CCCCN)NC(=O)C(NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C1CCCN1C(=O)C(CCCCN)NC(=O)C(NC(=O)C(C)NC(=O)C(N)CCSC)C(C)O)C(C)O)C(C)C)C(C)C)C(C)CC)C(C)O)C(C)C)C(C)CC)C(=O)NC(CCC(N)=O)C(=O)NC(CCCCN)C(=O)NC(CS)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(CC(N)=O)C(=O)NCC(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CCSC)C(=O)NC(CO)C(=O)NC(CCCCN)C(=O)NC(C(=O)NC(CC(=O)O)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NCC(=O)NCC(=O)NC(CCCNC(=N)N)C(=O)NC(CCSC)C(=O)NCC(=O)NC(CCC(=O)O)C(=O)NCC(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CC(C)C)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CC(=O)O)C(=O)O)C(C)C)C(C)O)C(C)CC)C(C)O", + "products": [ + 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MATKPKKTKGVSVSIEGKLPKMTLDMPVDAKKIKAIQKCLENGKLTITMSKVDLAGGRMGEGYLYD" + } + ], + "evidence": { + "evidenceCode": [ + "Heterologous expression" + ], + "references": [ + "doi:10.1021/acscentsci.4c00088" + ] + } + }, + { + "tailoring": [ + "Cyclization", + "Oxidation" + ], + "description": "ApyO could also catalyse N\u2500C cross-link between the indole nitrogen of Trp and C\u03b5 of Tyr in the precursor variants core motif WLYD", + "reactionSMARTS": 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], + "references": [ + "doi:10.1002/anie.7714055" + ] + } + }, + { + "tailoring": [ + "Cyclization", + "Oxidation" + ], + "description": "ApyO could also catalyse the C\u2500O crosslink between the C\u03b52 carbon of Tyr1 and the phenolic oxygen of Tyr3 in the precursor variant core motif YYYD", + "reactionSMARTS": 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afforded two constitutional isomers either the wild type C\u03b52\u2212C\u03b52 linkage or a C\u03b52\u2212O crosslink between Y1-Y3" + } + ], + "evidence": { + "evidenceCode": [ + "Heterologous expression" + ], + "references": [ + "doi:10.1002/anie.7714055" + ] + } + } + ] +} \ No newline at end of file