diff --git a/mite_data/data/MITE9999999.json b/mite_data/data/MITE9999999.json new file mode 100644 index 00000000..cd2b3cad --- /dev/null +++ b/mite_data/data/MITE9999999.json @@ -0,0 +1,67 @@ +{ + "accession": "MITE9999999", + "status": "active", + "comment": "SneP forms two biaryl cross-links (C-C and ether) on the core peptide sequence of YSYY", + "changelog": [ + { + "version": "1", + "date": "2026-07-24", + "contributors": [ + "0009-0008-8086-5325" + ], + "reviewers": [ + "0009-0008-6482-7206", + "0000-0001-6534-6609" + ], + "comment": "New entry. Reviewer 1 added missing tailoring reaction terms." + } + ], + "enzyme": { + "name": "SneP", + "description": "Cytochrome P450", + "references": [ + "doi:10.1021/jacs.3c07416" + ], + "databaseIds": { + "uniprot": "UPI00160C074B", + "genpept": "WXH40812.1" + }, + "cofactors": { + "organic": [ + "Heme" + ], + "inorganic": [ + "Fe" + ] + } + }, + "reactions": [ + { + "tailoring": [ + "Biaryl bond formation", + "Cyclization", + "Oxidation" + ], + "description": "SneP catalyzes C\u2013C and an ether linkage on the YSYY motif", + "reactionSMARTS": 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+ "reactions": [ + { + "substrate": "CCC(C)C(NC(=O)C(N)CCSC)C(=O)NC(CC(C)C)C(=O)NC(C(=O)NCC(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(Cc1ccccc1)C(=O)NC(C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC(C)C)C(=O)NC(C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)NC(CC(=O)O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC(C)C)C(=O)NC(C(=O)NC(CC(C)C)C(=O)N1CCCC1C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CO)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(Cc1ccc(O)cc1)C(=O)O)C(C)O)C(C)O)C(C)O", + "products": [ + "CCC(C)C(NC(=O)C(N)CCSC)C(=O)NC(CC(C)C)C(=O)NC(C(=O)NCC(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(Cc1ccccc1)C(=O)NC(C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC(C)C)C(=O)NC(C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)NC(CC(=O)O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC(C)C)C(=O)NC(C(=O)NC(CC(C)C)C(=O)N1CCCC1C(=O)NC1Cc2ccc(cc2)Oc2cc3cc(c2O)-c2cc(ccc2O)CC(C(=O)O)NC(=O)C(C3)NC(=O)C(CO)NC1=O)C(C)O)C(C)O)C(C)O" + ], + "isIntermediate": true, + "description": "SneP catalyzes biaryl C-C and biaryl ether cross-link on the precursor peptide SneA, before the release of mature crosslinked peptide YSYY. SneA: MILTGALFARLTRKDRLTLPYSYY" + } + ], + "evidence": { + "evidenceCode": [ + "Heterologous expression" + ], + "references": [ + "doi:10.1021/jacs.3c07416" + ] + } + } + ] +}