From 9dde6db83560f7c54d076b3600ef2b16d1f53059 Mon Sep 17 00:00:00 2001 From: mite-bot Date: Sat, 29 Aug 2026 12:01:52 +0200 Subject: [PATCH 1/2] Add submission UUID file --- .../18e08012-a38d-11f1-a881-7d5f8d37e7b5.json | 44 +++++++++++++++++++ 1 file changed, 44 insertions(+) create mode 100644 mite_data/data/18e08012-a38d-11f1-a881-7d5f8d37e7b5.json diff --git a/mite_data/data/18e08012-a38d-11f1-a881-7d5f8d37e7b5.json b/mite_data/data/18e08012-a38d-11f1-a881-7d5f8d37e7b5.json new file mode 100644 index 00000000..43ba7c93 --- /dev/null +++ b/mite_data/data/18e08012-a38d-11f1-a881-7d5f8d37e7b5.json @@ -0,0 +1,44 @@ +{ + "accession": "MITE9999999", + "status": "pending", + "changelog": [ + { + "version": "1", + "date": "2026-08-29", + "contributors": [ + "0009-0008-8086-5325" + ], + "reviewers": [ + "BBBBBBBBBBBBBBBBBBBBBBBB" + ], + "comment": "New entry." + } + ], + "enzyme": { + "name": "AbeH", + "databaseIds": { + "uniprot": "UPI00020D9059", + "genpept": "" + }, + "references": [ + "doi:" + ] + }, + "reactions": [ + { + "evidence": { + "evidenceCode": [], + "references": [ + "doi:" + ] + }, + "reactions": [ + { + "products": [ + "" + ] + } + ] + } + ] +} \ No newline at end of file From 2bc51381d4f465a3b0958a5c9e923bcdee597d0f Mon Sep 17 00:00:00 2001 From: mite-bot Date: Sat, 29 Aug 2026 13:01:56 +0200 Subject: [PATCH 2/2] Update submission --- .../18e08012-a38d-11f1-a881-7d5f8d37e7b5.json | 66 ++++++++++++++++--- 1 file changed, 56 insertions(+), 10 deletions(-) diff --git a/mite_data/data/18e08012-a38d-11f1-a881-7d5f8d37e7b5.json b/mite_data/data/18e08012-a38d-11f1-a881-7d5f8d37e7b5.json index 43ba7c93..e2a7ef32 100644 --- a/mite_data/data/18e08012-a38d-11f1-a881-7d5f8d37e7b5.json +++ b/mite_data/data/18e08012-a38d-11f1-a881-7d5f8d37e7b5.json @@ -1,6 +1,7 @@ { "accession": "MITE9999999", "status": "pending", + "comment": "Tryptophan 5-halogenase", "changelog": [ { "version": "1", @@ -16,29 +17,74 @@ ], "enzyme": { "name": "AbeH", + "description": "Flavin-dependent halogenase", + "references": [ + "doi:10.1021/ja2022653", + "doi:10.1021/acsomega.4c09590" + ], "databaseIds": { "uniprot": "UPI00020D9059", - "genpept": "" + "genpept": "AEF32095.1", + "mibig": "BGC0001333" }, - "references": [ - "doi:" - ] + "cofactors": { + "organic": [ + "FAD" + ] + } }, "reactions": [ { + "tailoring": [ + "Halogenation" + ], + "description": "AbeH chlorinates tryptophan in the biosynthesis of BE-54017.", + "reactionSMARTS": "[#7:1]-[#6:2](-[#6:6]-[#6:7]1:[#6:15]:[#7:14]:[#6:9]2:[#6:10]:[#6:11]:[#6:12]:[#6:13]:[#6:8]:1:2)-[#6:3](=[#8:5])-[#8:4]>>[#7:1]-[#6:2](-[#6:6]-[#6:7]1:[#6:15]:[#7:14]:[#6:9]2:[#6:10]:[#6:11]:[#6:12](:[#6:13]:[#6:8]:1:2)-[Cl])-[#6:3](=[#8:5])-[#8:4]", + "reactions": [ + { + "substrate": "NC(Cc1c[nH]c2ccccc12)C(=O)O", + "products": [ + "NC(Cc1c[nH]c2ccc(Cl)cc12)C(=O)O" + ], + "isIntermediate": true, + "description": "AbeH chlorinates and brominates Trp at C5 and can halogenate other substrates with phenyl, quinoline, or indole groups." + } + ], "evidence": { - "evidenceCode": [], + "evidenceCode": [ + "Heterologous expression", + "In vitro assay", + "Knock-out studies" + ], "references": [ - "doi:" + "doi:10.1021/acsomega.4c09590", + "doi:10.1021/ja2022653" ] - }, + } + }, + { + "tailoring": [ + "Halogenation" + ], + "description": "AbeH brominates Trp at C5", + "reactionSMARTS": "[#7:1]-[#6:2](-[#6:6]-[#6:7]1:[#6:15]:[#7:14]:[#6:9]2:[#6:10]:[#6:11]:[#6:12]:[#6:13]:[#6:8]:1:2)-[#6:3](=[#8:5])-[#8:4]>>[#7:1]-[#6:2](-[#6:6]-[#6:7]1:[#6:15]:[#7:14]:[#6:9]2:[#6:10]:[#6:11]:[#6:12](:[#6:13]:[#6:8]:1:2)-Br)-[#6:3](=[#8:5])-[#8:4]", "reactions": [ { + "substrate": "NC(Cc1c[nH]c2ccccc12)C(=O)O", "products": [ - "" - ] + "NC(Cc1c[nH]c2ccc(Br)cc12)C(=O)O" + ], + "isIntermediate": false } - ] + ], + "evidence": { + "evidenceCode": [ + "In vitro assay" + ], + "references": [ + "doi:10.1021/acsomega.4c09590" + ] + } } ] } \ No newline at end of file