diff --git a/mite_data/data/dd1c4562-7627-11f1-818a-e32f44f7cd8f.json b/mite_data/data/dd1c4562-7627-11f1-818a-e32f44f7cd8f.json new file mode 100644 index 00000000..afdbb3b7 --- /dev/null +++ b/mite_data/data/dd1c4562-7627-11f1-818a-e32f44f7cd8f.json @@ -0,0 +1,64 @@ +{ + "accession": "MITE9999999", + "status": "pending", + "comment": "CihB catalyzes an oxidative intramolecular C\u2212N bond linkage between two Trp units of the precursor peptide CihA to produce Cihunamides", + "changelog": [ + { + "version": "1", + "date": "2026-07-02", + "contributors": [ + "0009-0008-8086-5325" + ], + "reviewers": [ + "BBBBBBBBBBBBBBBBBBBBBBBB" + ], + "comment": "New entry." + } + ], + "enzyme": { + "name": "CihB", + "description": "Cytochrome P450", + "references": [ + "doi:10.1002/anie.202300998" + ], + "databaseIds": { + "uniprot": "UPI0027A012A4", + "genpept": "WGZ76221.1" + }, + "cofactors": { + "organic": [ + "Heme" + ], + "inorganic": [ + "Fe" + ] + } + }, + "reactions": [ + { + "tailoring": [ + "Biaryl bond formation" + ], + "description": "CihB oxidatively couples the two tryptophan residues, forming an intramolecular C\u2013N bond between indole C-7 of l-Trp-1 and indole N-1 of l-Trp-2", + "reactionSMARTS": "[#6:1]-[#6:2]-[#6:3](-[#6:45])-[#6:4](-[#7:22]-[#6:23](=[#8:44])-[#6:24](-[#6:40]-[#6:41](=[#8:43])-[#7:42])-[#7:25]-[#6:26](=[#8:39])-[#6:27](-[#7:38])-[#6:28]-[#6:29]1:[#6:32]2:[#6:37]:[#6:36]:[#6:35]:[#6:34]:[#6:33]:2:[#7:31]:[#6:30]:1)-[#6:5](=[#8:21])-[#7:6]-[#6:7](-[#6:11]-[#6:12]1:[#6:15]2:[#6:20]:[#6:19]:[#6:18]:[#6:17]:[#6:16]:2:[#7:14]:[#6:13]:1)-[#6:8](=[#8:10])-[#8:9]>>[#6:1]-[#6:2]-[#6:3](-[#6:45])-[#6:4]1-[#7:22]-[#6:23](=[#8:44])-[#6:24](-[#6:40]-[#6:41](=[#8:43])-[#7:42])-[#7:25]-[#6:26](=[#8:39])-[#6:27](-[#7:38])-[#6:28]-[#6:29]2:[#6:32]3:[#6:37]:[#6:36]:[#6:35]:[#6:34](-[#7:14]4:[#6:16]5:[#6:17]:[#6:18]:[#6:19]:[#6:20]:[#6:15]:5:[#6:12](:[#6:13]:4)-[#6:11]-[#6:7](-[#6:8](=[#8:10])-[#8:9])-[#7:6]-[#6:5]-1=[#8:21]):[#6:33]:3:[#7:31]:[#6:30]:2", + "reactions": [ + { + "substrate": "CCC(C)C(NC(=O)C(CC(N)=O)NC(=O)C(N)Cc1c[nH]c2ccccc12)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O", + "products": [ + "CCC(C)C1NC(=O)C(CC(N)=O)NC(=O)C(N)Cc2c[nH]c3c(cccc23)-n2cc(c3ccccc32)CC(C(=O)O)NC1=O" + ], + "isIntermediate": false + } + ], + "evidence": { + "evidenceCode": [ + "Heterologous expression", + "Inference from genomic data and chemical structure" + ], + "references": [ + "doi:10.1002/anie.202300998" + ] + } + } + ] +} \ No newline at end of file