From 4286b6f4909307f2fa04d71cd0e5f1a6cb2ab630 Mon Sep 17 00:00:00 2001 From: mite-bot Date: Thu, 8 Jan 2026 11:08:04 +0000 Subject: [PATCH] Contributor submission IkaC --- .../9ddee862-ec81-11f0-8cfa-42e140a9826e.json | 63 +++++++++++++++++++ 1 file changed, 63 insertions(+) create mode 100644 mite_data/data/9ddee862-ec81-11f0-8cfa-42e140a9826e.json diff --git a/mite_data/data/9ddee862-ec81-11f0-8cfa-42e140a9826e.json b/mite_data/data/9ddee862-ec81-11f0-8cfa-42e140a9826e.json new file mode 100644 index 0000000..66911be --- /dev/null +++ b/mite_data/data/9ddee862-ec81-11f0-8cfa-42e140a9826e.json @@ -0,0 +1,63 @@ +{ + "accession": "MITE9999999", + "status": "pending", + "comment": "NAD(P)H-dependent medium-chain dehydrogenase/reductase from Streptomyces sp. ZJ306", + "changelog": [ + { + "version": "1", + "date": "2026-01-08", + "contributors": [ + "0000-0002-8834-593X" + ], + "reviewers": [ + "BBBBBBBBBBBBBBBBBBBBBBBB" + ], + "comment": "new entry." + } + ], + "enzyme": { + "name": "IkaC", + "description": "dehydrogenase/reductase", + "references": [ + "doi:10.1021/jacs.5c04971" + ], + "databaseIds": { + "uniprot": "UPI000588A50D", + "genpept": "AJD77025.1" + }, + "cofactors": { + "organic": [ + "NAD", + "NADP" + ] + } + }, + "reactions": [ + { + "tailoring": [ + "Cyclization", + "Reduction" + ], + "description": "Reductive cyclization to form a 5-membered ring", + "reactionSMARTS": "[#6:1]-[#6:2]-[#6:3]1-[#6:7]2-[#6:8]=[#6:9]-[#6:10]3-[#6:14]=[#6]-[#6:16]=[#6:17]-[#6:18](-[#7:20]-[#6:21]-[#6:22]-[#6:23]-[#6:24]4-[#7:34]-[#6:32](=[#8:33])-[#6:27](=[#6:28](-[#8:31])-[#6:29]=[#6:30]-[#6:13]=[#6:12]-[#6:11]-3-[#6:6]-2-[#6:5]-[#6:4]-1-[#6:35])-[#6:25]-4=[#8:26])=[#8:19]>>[#6:1]-[#6:2]-[#6:3]1-[#6:7]2-[#6:8]=[#6:9]-[#6:10]3-[#6:14]4-[#6:1]-[#6:16]=[#6:17]-[#6:18](-[#7:20]-[#6:21]-[#6:22]-[#6:23]-[#6:24]5-[#7:34]-[#6:32](=[#8:33])-[#6:27](=[#6:28](-[#8:31])-[#6:29]=[#6:30]-[#6:13]-4-[#6:12]-[#6:11]-3-[#6:6]-2-[#6:5]-[#6:4]-1-[#6:35])-[#6:25]-5=[#8:26])=[#8:19]", + "reactions": [ + { + "substrate": "CCC1C(C)CC2C3C=CC=CC(O)=C4C(=O)NC(CCCNC(=O)C=CC=CC3C=CC12)C4=O", + "products": [ + "CCC1C(C)CC2C1C=CC1C3CC=CC(=O)NCCCC4NC(=O)C(=C(O)C=CC3CC12)C4=O" + ], + "isIntermediate": false + } + ], + "evidence": { + "evidenceCode": [ + "Inference from genomic data and chemical structure", + "In vitro assay" + ], + "references": [ + "doi:10.1021/jacs.5c04971" + ] + } + } + ] +} \ No newline at end of file