From 9769f2fbc0a0224f824b00077064006108b1e1b9 Mon Sep 17 00:00:00 2001 From: mite-bot Date: Sat, 16 May 2026 21:32:35 +0200 Subject: [PATCH 1/4] Add submission UUID file --- .../4ae2e6bc-5159-11f1-9ef6-bb4e59819b6d.json | 44 +++++++++++++++++++ 1 file changed, 44 insertions(+) create mode 100644 mite_data/data/4ae2e6bc-5159-11f1-9ef6-bb4e59819b6d.json diff --git a/mite_data/data/4ae2e6bc-5159-11f1-9ef6-bb4e59819b6d.json b/mite_data/data/4ae2e6bc-5159-11f1-9ef6-bb4e59819b6d.json new file mode 100644 index 00000000..ebae2813 --- /dev/null +++ b/mite_data/data/4ae2e6bc-5159-11f1-9ef6-bb4e59819b6d.json @@ -0,0 +1,44 @@ +{ + "accession": "MITE9999999", + "status": "pending", + "changelog": [ + { + "version": "1", + "date": "2026-05-16", + "contributors": [ + "0000-0002-0771-9611" + ], + "reviewers": [ + "BBBBBBBBBBBBBBBBBBBBBBBB" + ], + "comment": "New entry." + } + ], + "enzyme": { + "name": "AscF", + "databaseIds": { + "uniprot": "A0A455RAK9", + "genpept": "" + }, + "references": [ + "doi:" + ] + }, + "reactions": [ + { + "evidence": { + "evidenceCode": [], + "references": [ + "doi:" + ] + }, + "reactions": [ + { + "products": [ + "" + ] + } + ] + } + ] +} \ No newline at end of file From 3f7d85406177e9427ef4fa147026087835cccbc3 Mon Sep 17 00:00:00 2001 From: mite-bot Date: Sat, 16 May 2026 21:56:19 +0200 Subject: [PATCH 2/4] Update submission --- .../4ae2e6bc-5159-11f1-9ef6-bb4e59819b6d.json | 40 ++++++++++++------- 1 file changed, 26 insertions(+), 14 deletions(-) diff --git a/mite_data/data/4ae2e6bc-5159-11f1-9ef6-bb4e59819b6d.json b/mite_data/data/4ae2e6bc-5159-11f1-9ef6-bb4e59819b6d.json index ebae2813..9388b466 100644 --- a/mite_data/data/4ae2e6bc-5159-11f1-9ef6-bb4e59819b6d.json +++ b/mite_data/data/4ae2e6bc-5159-11f1-9ef6-bb4e59819b6d.json @@ -16,29 +16,41 @@ ], "enzyme": { "name": "AscF", + "description": "Terpene cyclase", + "references": [ + "doi:10.1073/pnas.1819254116" + ], "databaseIds": { "uniprot": "A0A455RAK9", - "genpept": "" - }, - "references": [ - "doi:" - ] + "genpept": "BBF25318.1", + "mibig": "BGC0001923" + } }, "reactions": [ { - "evidence": { - "evidenceCode": [], - "references": [ - "doi:" - ] - }, + "tailoring": [ + "Cyclization" + ], + "description": "Following protonation of the terminal epoxide of Ilicicolin A epoxide, AscF generates a monocyclic tertiarycation leading to formation of Ilicicolin C.", + "reactionSMARTS": "[#6]-[#6]1(-[#8]\\[#6@@]-1-[#6]-[#6]-[#6](=[#6]-[#6]-[#6]-[#6](=[#6]-[#6]-[#6]1:[#6](-[#8]):[#6](-[#6]=[#8]):[#6](-[#6]):[#6](-[Cl]):[#6]:1-[#8])-[#6])-[#6])-[#6]>>[#6@]1(\\[#6])(-[#6@](\\[#6])-[#6]-[#6]-[#6](=[#8])-[#6@@]-1\\[#6])-[#6]-[#6](=[#6]-[#6]-[#6]1:[#6](-[#8]):[#6](-[#6]=[#8]):[#6](-[#6]):[#6](-[Cl]):[#6]:1-[#8])-[#6]", "reactions": [ { + "substrate": "CC(=CCc1c(O)c(Cl)c(C)c(C=O)c1O)CCC=C(C)CC[C@H]1OC1(C)C", "products": [ - "" - ] + "CC(=CCc1c(O)c(Cl)c(C)c(C=O)c1O)C[C@@]1(C)[C@H](C)CCC(=O)[C@@H]1C" + ], + "isIntermediate": true } - ] + ], + "evidence": { + "evidenceCode": [ + "In vitro assay", + "Knock-out studies" + ], + "references": [ + "doi:10.1073/pnas.1819254116" + ] + } } ] } \ No newline at end of file From 0faa0b5305bf89fd59d8a282c136c9365e8655fd Mon Sep 17 00:00:00 2001 From: mite-bot Date: Wed, 20 May 2026 12:33:09 +0200 Subject: [PATCH 3/4] Delete mite_data/data/4ae2e6bc-5159-11f1-9ef6-bb4e59819b6d.json --- .../4ae2e6bc-5159-11f1-9ef6-bb4e59819b6d.json | 56 ------------------- 1 file changed, 56 deletions(-) delete mode 100644 mite_data/data/4ae2e6bc-5159-11f1-9ef6-bb4e59819b6d.json diff --git a/mite_data/data/4ae2e6bc-5159-11f1-9ef6-bb4e59819b6d.json b/mite_data/data/4ae2e6bc-5159-11f1-9ef6-bb4e59819b6d.json deleted file mode 100644 index 9388b466..00000000 --- a/mite_data/data/4ae2e6bc-5159-11f1-9ef6-bb4e59819b6d.json +++ /dev/null @@ -1,56 +0,0 @@ -{ - "accession": "MITE9999999", - "status": "pending", - "changelog": [ - { - "version": "1", - "date": "2026-05-16", - "contributors": [ - "0000-0002-0771-9611" - ], - "reviewers": [ - "BBBBBBBBBBBBBBBBBBBBBBBB" - ], - "comment": "New entry." - } - ], - "enzyme": { - "name": "AscF", - "description": "Terpene cyclase", - "references": [ - "doi:10.1073/pnas.1819254116" - ], - "databaseIds": { - "uniprot": "A0A455RAK9", - "genpept": "BBF25318.1", - "mibig": "BGC0001923" - } - }, - "reactions": [ - { - "tailoring": [ - "Cyclization" - ], - "description": "Following protonation of the terminal epoxide of Ilicicolin A epoxide, AscF generates a monocyclic tertiarycation leading to formation of Ilicicolin C.", - "reactionSMARTS": "[#6]-[#6]1(-[#8]\\[#6@@]-1-[#6]-[#6]-[#6](=[#6]-[#6]-[#6]-[#6](=[#6]-[#6]-[#6]1:[#6](-[#8]):[#6](-[#6]=[#8]):[#6](-[#6]):[#6](-[Cl]):[#6]:1-[#8])-[#6])-[#6])-[#6]>>[#6@]1(\\[#6])(-[#6@](\\[#6])-[#6]-[#6]-[#6](=[#8])-[#6@@]-1\\[#6])-[#6]-[#6](=[#6]-[#6]-[#6]1:[#6](-[#8]):[#6](-[#6]=[#8]):[#6](-[#6]):[#6](-[Cl]):[#6]:1-[#8])-[#6]", - 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Reviewer 1 fixed reaction SMARTS and product, added RHEA ID." + } + ], + "enzyme": { + "name": "AscF", + "description": "Terpene cyclase", + "references": [ + "doi:10.1073/pnas.1819254116" + ], + "databaseIds": { + "uniprot": "A0A455RAK9", + "genpept": "BBF25318.1", + "mibig": "BGC0001923" + } + }, + "reactions": [ + { + "tailoring": [ + "Cyclization" + ], + "description": "Cyclization of intermediate terpenoid in the ascochlorin biosynthetic pathway.", + "reactionSMARTS": "[#6:1]-[#6:2](-[#6:17]-[#6:18]-[#6:19]=[#6:20](-[#6:22]-[#6:23]\\[#6@@:24]1-[#6:26](-[#6:28])(-[#6:27])-[#8:25]-1)-[#6:21])=[#6:3]-[#6:4]-[#6:5]1:[#6:15](-[#8:16]):[#6:12](-[#6:13]=[#8:14]):[#6:10](-[#6:11]):[#6:8](-[Cl:9]):[#6:6]:1-[#8:7]>>[#6:1]-[#6:2](-[#6:17]-[#6:18]-[#6@@:19]1(\\[#6:27])-[#6@:26](\\[#6:28])-[#6&H0:24](=[#8:25])-[#6:23]-[#6:22]-[#6@@:20]-1\\[#6:21])=[#6:3]-[#6:4]-[#6:5]1:[#6:15](-[#8:16]):[#6:12](-[#6:13]=[#8:14]):[#6:10](-[#6:11]):[#6:8](-[Cl:9]):[#6:6]:1-[#8:7]", + "reactions": [ + { + "substrate": "CC(=CCc1c(O)c(Cl)c(C)c(C=O)c1O)CCC=C(C)CC[C@H]1OC1(C)C", + "products": [ + "CC(=CCc1c(O)c(Cl)c(C)c(C=O)c1O)CC[C@@]1(C)[C@H](C)C(=O)CC[C@@H]1C" + ], + "isIntermediate": true, + "description": "Following protonation of the terminal epoxide of Ilicicolin A epoxide, AscF converts ilicicolin A via a monocyclic tertiarycation to ilicicolin C." + } + ], + "evidence": { + "evidenceCode": [ + "In vitro assay", + "Knock-out studies" + ], + "references": [ + "doi:10.1073/pnas.1819254116" + ] + }, + "databaseIds": { + "rhea": "63096", + "ec": "5.4.99" + } + } + ] +} \ No newline at end of file