From a5791f59415e3dd8789f0fa7f1f4f0ebe49614f4 Mon Sep 17 00:00:00 2001 From: mite-bot Date: Sat, 25 Jul 2026 19:47:40 +0200 Subject: [PATCH 1/4] Add submission UUID file --- .../c605291c-8850-11f1-8cab-df74baa3faa7.json | 44 +++++++++++++++++++ 1 file changed, 44 insertions(+) create mode 100644 mite_data/data/c605291c-8850-11f1-8cab-df74baa3faa7.json diff --git a/mite_data/data/c605291c-8850-11f1-8cab-df74baa3faa7.json b/mite_data/data/c605291c-8850-11f1-8cab-df74baa3faa7.json new file mode 100644 index 000000000..981b30bfc --- /dev/null +++ b/mite_data/data/c605291c-8850-11f1-8cab-df74baa3faa7.json @@ -0,0 +1,44 @@ +{ + "accession": "MITE9999999", + "status": "pending", + "changelog": [ + { + "version": "1", + "date": "2026-07-25", + "contributors": [ + "0009-0008-8086-5325" + ], + "reviewers": [ + "BBBBBBBBBBBBBBBBBBBBBBBB" + ], + "comment": "New entry." + } + ], + "enzyme": { + "name": "ScaP", + "databaseIds": { + "uniprot": "UPI001160DEFE", + "genpept": "" + }, + "references": [ + "doi:" + ] + }, + "reactions": [ + { + "evidence": { + "evidenceCode": [], + "references": [ + "doi:" + ] + }, + "reactions": [ + { + "products": [ + "" + ] + } + ] + } + ] +} \ No newline at end of file From e4fade312e3d21ad31c2b68e4d3d7d206ef301e4 Mon Sep 17 00:00:00 2001 From: mite-bot Date: Sat, 25 Jul 2026 20:21:59 +0200 Subject: [PATCH 2/4] Update submission --- .../c605291c-8850-11f1-8cab-df74baa3faa7.json | 47 +++++++++++++------ 1 file changed, 33 insertions(+), 14 deletions(-) diff --git a/mite_data/data/c605291c-8850-11f1-8cab-df74baa3faa7.json b/mite_data/data/c605291c-8850-11f1-8cab-df74baa3faa7.json index 981b30bfc..8e9c6b24a 100644 --- a/mite_data/data/c605291c-8850-11f1-8cab-df74baa3faa7.json +++ b/mite_data/data/c605291c-8850-11f1-8cab-df74baa3faa7.json @@ -1,6 +1,7 @@ { "accession": "MITE9999999", "status": "pending", + "comment": "C\u2013N bond formation between W-W on the core peptide WHIW", "changelog": [ { "version": "1", @@ -16,29 +17,47 @@ ], "enzyme": { "name": "ScaP", + "description": "Cytochrome P450", + "references": [ + "doi:10.1021/jacs.3c07416" + ], "databaseIds": { - "uniprot": "UPI001160DEFE", - "genpept": "" + "uniprot": "UPI001160DEFE" }, - "references": [ - "doi:" - ] + "cofactors": { + "organic": [ + "Heme" + ], + "inorganic": [ + "Fe" + ] + } }, "reactions": [ { - "evidence": { - "evidenceCode": [], - "references": [ - "doi:" - ] - }, + "tailoring": [ + "Biaryl bond formation" + ], + "description": "ScaP catalyzes C\u2013N cross-link between two indole rings of tryptophan on the motif WHIW", + "reactionSMARTS": "[#6:1]-[#6:2]-[#6:3](-[#6:5](-[#6:177](-[#7:179]-[#6:180](-[#6:191](-[#8:193])=[#8:192])-[#6:181]-[#6:182]1:[#6:190]2:[#6:185](:[#6:186]:[#6:187]:[#6:188]:[#6:189]:2):[#7:184]:[#6:183]:1)=[#8:178])-[#7:6]-[#6:7](-[#6:9](-[#7:16]-[#6:17](-[#6:19](-[#7:30]-[#6:31](-[#6:33](-[#7:35]-[#6:36](-[#6:38](-[#7:44]-[#6:45](-[#6:47](-[#7:55]-[#6:56](-[#6:58](-[#7:63]-[#6:64](-[#6:66](-[#6:174](-[#6:176])-[#6:175])-[#7:67]-[#6:68](-[#6:70](-[#7:78]-[#6:79](-[#6:81](-[#7:89]-[#6:90](-[#6:92]-[#7:93]-[#6:94](-[#6:96](-[#6:171](-[#8:173])-[#6:172])-[#7:97]-[#6:98](-[#6:100](-[#6:168](-[#6:170])-[#6:169])-[#7:101]-[#6:102](-[#6:104](-[#7:112]-[#6:113](-[#6:115](-[#7:123]-[#6:124](-[#6:126](-[#7:131]-[#6:132](-[#6:134](-[#7:139]-[#6:140](-[#6:142](-[#7:148]-[#6:149](-[#6:151](-[#7:159]-[#6:160](-[#6:162](-[#6:164]-[#6:165]-[#16:166]-[#6:167])-[#7:163])=[#8:161])-[#6:152]-[#6:153]-[#6:154]-[#7:155]-[#6:156](-[#7:158])=[#7:157])=[#8:150])-[#6:143]-[#6:144]-[#6:145]-[#6:146]-[#7:147])=[#8:141])-[#6:135]-[#6:136](-[#6:138])-[#6:137])=[#8:133])-[#6:127]-[#6:128](-[#6:130])-[#6:129])=[#8:125])-[#6:116]-[#6:117]-[#6:118]-[#7:119]-[#6:120](-[#7:122])=[#7:121])=[#8:114])-[#6:105]-[#6:106]-[#6:107]-[#7:108]-[#6:109](-[#7:111])=[#7:110])=[#8:103])=[#8:99])=[#8:95])=[#8:91])-[#6:82]-[#6:83]-[#6:84]-[#7:85]-[#6:86](-[#7:88])=[#7:87])=[#8:80])-[#6:71]-[#6:72]-[#6:73]-[#7:74]-[#6:75](-[#7:77])=[#7:76])=[#8:69])=[#8:65])-[#6:59]-[#6:60](=[#8:62])-[#7:61])=[#8:57])-[#6:48]-[#6:49]-[#6:50]-[#7:51]-[#6:52](-[#7:54])=[#7:53])=[#8:46])-[#6:39]-[#6:40]-[#6:41](=[#8:43])-[#7:42])=[#8:37])-[#6:34])=[#8:32])-[#6:20]-[#6:21]1:[#6:29]2:[#6:24](:[#6:25]:[#6:26]:[#6:27]:[#6:28]:2):[#7:23]:[#6:22]:1)=[#8:18])-[#6:10]-[#6:11]1:[#7:15]:[#6:14]:[#7:13]:[#6:12]:1)=[#8:8])-[#6:4]>>[#6:1]-[#6:2]-[#6:3](-[#6:5]1-[#6:177](-[#7:179]-[#6:180](-[#6:191](-[#8:193])=[#8:192])-[#6:181]-[#6:182]2:[#6:190]3:[#6:185](:[#6:186]:[#6:187]:[#6:188]:[#6:189]:3):[#7:184](-[#6:27]3:[#6:28]:[#6:29]4:[#6:24](:[#6:25]:[#6:26]:3):[#7:23]:[#6:22]:[#6:21]:4-[#6:20]-[#6:19](-[#7:30]-[#6:31](-[#6:33](-[#7:35]-[#6:36](-[#6:38](-[#7:44]-[#6:45](-[#6:47](-[#7:55]-[#6:56](-[#6:58](-[#7:63]-[#6:64](-[#6:66](-[#6:174](-[#6:175])-[#6:176])-[#7:67]-[#6:68](-[#6:70](-[#7:78]-[#6:79](-[#6:81](-[#7:89]-[#6:90](-[#6:92]-[#7:93]-[#6:94](-[#6:96](-[#6:171](-[#8:173])-[#6:172])-[#7:97]-[#6:98](-[#6:100](-[#6:168](-[#6:169])-[#6:170])-[#7:101]-[#6:102](-[#6:104](-[#7:112]-[#6:113](-[#6:115](-[#7:123]-[#6:124](-[#6:126](-[#7:131]-[#6:132](-[#6:134](-[#7:139]-[#6:140](-[#6:142](-[#7:148]-[#6:149](-[#6:151](-[#7:159]-[#6:160](-[#6:162](-[#6:164]-[#6:165]-[#16:166]-[#6:167])-[#7:163])=[#8:161])-[#6:152]-[#6:153]-[#6:154]-[#7:155]-[#6:156](-[#7:158])=[#7:157])=[#8:150])-[#6:143]-[#6:144]-[#6:145]-[#6:146]-[#7:147])=[#8:141])-[#6:135]-[#6:136](-[#6:138])-[#6:137])=[#8:133])-[#6:127]-[#6:128](-[#6:129])-[#6:130])=[#8:125])-[#6:116]-[#6:117]-[#6:118]-[#7:119]-[#6:120](-[#7:122])=[#7:121])=[#8:114])-[#6:105]-[#6:106]-[#6:107]-[#7:108]-[#6:109](-[#7:111])=[#7:110])=[#8:103])=[#8:99])=[#8:95])=[#8:91])-[#6:82]-[#6:83]-[#6:84]-[#7:85]-[#6:86](-[#7:88])=[#7:87])=[#8:80])-[#6:71]-[#6:72]-[#6:73]-[#7:74]-[#6:75](-[#7:77])=[#7:76])=[#8:69])=[#8:65])-[#6:59]-[#6:60](=[#8:62])-[#7:61])=[#8:57])-[#6:48]-[#6:49]-[#6:50]-[#7:51]-[#6:52](-[#7:54])=[#7:53])=[#8:46])-[#6:39]-[#6:40]-[#6:41](=[#8:43])-[#7:42])=[#8:37])-[#6:34])=[#8:32])-[#6:17](=[#8:18])-[#7:16]-[#6:9](-[#6:10]-[#6:11]3:[#7:15]:[#6:14]:[#7:13]:[#6:12]:3)-[#6:7](=[#8:8])-[#7:6]-1):[#6:183]:2)=[#8:178])-[#6:4]", "reactions": [ { + "substrate": "CCC(C)C(NC(=O)C(Cc1c[nH]cn1)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(C)NC(=O)C(CCC(N)=O)NC(=O)C(CCCNC(=N)N)NC(=O)C(CC(N)=O)NC(=O)C(NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CCCCN)NC(=O)C(CCCNC(=N)N)NC(=O)C(N)CCSC)C(C)C)C(C)O)C(C)C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O", "products": [ - "" - ] + "CCC(C)C1NC(=O)C(Cc2c[nH]cn2)NC(=O)C(NC(=O)C(C)NC(=O)C(CCC(N)=O)NC(=O)C(CCCNC(=N)N)NC(=O)C(CC(N)=O)NC(=O)C(NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CCCCN)NC(=O)C(CCCNC(=N)N)NC(=O)C(N)CCSC)C(C)C)C(C)O)C(C)C)Cc2c[nH]c3ccc(cc23)-n2cc(c3ccccc32)CC(C(=O)O)NC1=O" + ], + "isIntermediate": true, + "description": "ScaP installs a C-N cross-link (Trp1-C to Trp4-N) on the motif WHIW of ScaA precursor peptide. The mature product Canumycin, is trimethylated at the free N-terminus of the Trp1 residue by the N-methyltransferase. ScaA:MRKLLRRVTGRRVNRQAWHIW" } - ] + ], + "evidence": { + "evidenceCode": [ + "Heterologous expression" + ], + "references": [ + "doi:10.1021/jacs.3c07416" + ] + } } ] } \ No newline at end of file From d96f6ef4f9f9305a3abd9260a0c99c608e42a49a Mon Sep 17 00:00:00 2001 From: mite-bot Date: Wed, 9 Sep 2026 18:37:00 +0200 Subject: [PATCH 3/4] Delete mite_data/data/c605291c-8850-11f1-8cab-df74baa3faa7.json --- .../c605291c-8850-11f1-8cab-df74baa3faa7.json | 63 ------------------- 1 file changed, 63 deletions(-) delete mode 100644 mite_data/data/c605291c-8850-11f1-8cab-df74baa3faa7.json diff --git a/mite_data/data/c605291c-8850-11f1-8cab-df74baa3faa7.json b/mite_data/data/c605291c-8850-11f1-8cab-df74baa3faa7.json deleted file mode 100644 index 8e9c6b24a..000000000 --- a/mite_data/data/c605291c-8850-11f1-8cab-df74baa3faa7.json +++ /dev/null @@ -1,63 +0,0 @@ -{ - "accession": "MITE9999999", - "status": "pending", - "comment": "C\u2013N bond formation between W-W on the core peptide WHIW", - "changelog": [ - { - "version": "1", - "date": "2026-07-25", - "contributors": [ - "0009-0008-8086-5325" - ], - "reviewers": [ - "BBBBBBBBBBBBBBBBBBBBBBBB" - ], - "comment": "New entry." - } - ], - "enzyme": { - "name": "ScaP", - "description": "Cytochrome P450", - "references": [ - "doi:10.1021/jacs.3c07416" - ], - "databaseIds": { - "uniprot": "UPI001160DEFE" - }, - "cofactors": { - "organic": [ - "Heme" - ], - "inorganic": [ - "Fe" - ] - } - }, - "reactions": [ - { - "tailoring": [ - "Biaryl bond formation" - ], - "description": "ScaP catalyzes C\u2013N cross-link between two indole rings of tryptophan on the motif WHIW", - "reactionSMARTS": "[#6:1]-[#6:2]-[#6:3](-[#6:5](-[#6:177](-[#7:179]-[#6:180](-[#6:191](-[#8:193])=[#8:192])-[#6:181]-[#6:182]1:[#6:190]2:[#6:185](:[#6:186]:[#6:187]:[#6:188]:[#6:189]:2):[#7:184]:[#6:183]:1)=[#8:178])-[#7:6]-[#6:7](-[#6:9](-[#7:16]-[#6:17](-[#6:19](-[#7:30]-[#6:31](-[#6:33](-[#7:35]-[#6:36](-[#6:38](-[#7:44]-[#6:45](-[#6:47](-[#7:55]-[#6:56](-[#6:58](-[#7:63]-[#6:64](-[#6:66](-[#6:174](-[#6:176])-[#6:175])-[#7:67]-[#6:68](-[#6:70](-[#7:78]-[#6:79](-[#6:81](-[#7:89]-[#6:90](-[#6:92]-[#7:93]-[#6:94](-[#6:96](-[#6:171](-[#8:173])-[#6:172])-[#7:97]-[#6:98](-[#6:100](-[#6:168](-[#6:170])-[#6:169])-[#7:101]-[#6:102](-[#6:104](-[#7:112]-[#6:113](-[#6:115](-[#7:123]-[#6:124](-[#6:126](-[#7:131]-[#6:132](-[#6:134](-[#7:139]-[#6:140](-[#6:142](-[#7:148]-[#6:149](-[#6:151](-[#7:159]-[#6:160](-[#6:162](-[#6:164]-[#6:165]-[#16:166]-[#6:167])-[#7:163])=[#8:161])-[#6:152]-[#6:153]-[#6:154]-[#7:155]-[#6:156](-[#7:158])=[#7:157])=[#8:150])-[#6:143]-[#6:144]-[#6:145]-[#6:146]-[#7:147])=[#8:141])-[#6:135]-[#6:136](-[#6:138])-[#6:137])=[#8:133])-[#6:127]-[#6:128](-[#6:130])-[#6:129])=[#8:125])-[#6:116]-[#6:117]-[#6:118]-[#7:119]-[#6:120](-[#7:122])=[#7:121])=[#8:114])-[#6:105]-[#6:106]-[#6:107]-[#7:108]-[#6:109](-[#7:111])=[#7:110])=[#8:103])=[#8:99])=[#8:95])=[#8:91])-[#6:82]-[#6:83]-[#6:84]-[#7:85]-[#6:86](-[#7:88])=[#7:87])=[#8:80])-[#6:71]-[#6:72]-[#6:73]-[#7:74]-[#6:75](-[#7:77])=[#7:76])=[#8:69])=[#8:65])-[#6:59]-[#6:60](=[#8:62])-[#7:61])=[#8:57])-[#6:48]-[#6:49]-[#6:50]-[#7:51]-[#6:52](-[#7:54])=[#7:53])=[#8:46])-[#6:39]-[#6:40]-[#6:41](=[#8:43])-[#7:42])=[#8:37])-[#6:34])=[#8:32])-[#6:20]-[#6:21]1:[#6:29]2:[#6:24](:[#6:25]:[#6:26]:[#6:27]:[#6:28]:2):[#7:23]:[#6:22]:1)=[#8:18])-[#6:10]-[#6:11]1:[#7:15]:[#6:14]:[#7:13]:[#6:12]:1)=[#8:8])-[#6:4]>>[#6:1]-[#6:2]-[#6:3](-[#6:5]1-[#6:177](-[#7:179]-[#6:180](-[#6:191](-[#8:193])=[#8:192])-[#6:181]-[#6:182]2:[#6:190]3:[#6:185](:[#6:186]:[#6:187]:[#6:188]:[#6:189]:3):[#7:184](-[#6:27]3:[#6:28]:[#6:29]4:[#6:24](:[#6:25]:[#6:26]:3):[#7:23]:[#6:22]:[#6:21]:4-[#6:20]-[#6:19](-[#7:30]-[#6:31](-[#6:33](-[#7:35]-[#6:36](-[#6:38](-[#7:44]-[#6:45](-[#6:47](-[#7:55]-[#6:56](-[#6:58](-[#7:63]-[#6:64](-[#6:66](-[#6:174](-[#6:175])-[#6:176])-[#7:67]-[#6:68](-[#6:70](-[#7:78]-[#6:79](-[#6:81](-[#7:89]-[#6:90](-[#6:92]-[#7:93]-[#6:94](-[#6:96](-[#6:171](-[#8:173])-[#6:172])-[#7:97]-[#6:98](-[#6:100](-[#6:168](-[#6:169])-[#6:170])-[#7:101]-[#6:102](-[#6:104](-[#7:112]-[#6:113](-[#6:115](-[#7:123]-[#6:124](-[#6:126](-[#7:131]-[#6:132](-[#6:134](-[#7:139]-[#6:140](-[#6:142](-[#7:148]-[#6:149](-[#6:151](-[#7:159]-[#6:160](-[#6:162](-[#6:164]-[#6:165]-[#16:166]-[#6:167])-[#7:163])=[#8:161])-[#6:152]-[#6:153]-[#6:154]-[#7:155]-[#6:156](-[#7:158])=[#7:157])=[#8:150])-[#6:143]-[#6:144]-[#6:145]-[#6:146]-[#7:147])=[#8:141])-[#6:135]-[#6:136](-[#6:138])-[#6:137])=[#8:133])-[#6:127]-[#6:128](-[#6:129])-[#6:130])=[#8:125])-[#6:116]-[#6:117]-[#6:118]-[#7:119]-[#6:120](-[#7:122])=[#7:121])=[#8:114])-[#6:105]-[#6:106]-[#6:107]-[#7:108]-[#6:109](-[#7:111])=[#7:110])=[#8:103])=[#8:99])=[#8:95])=[#8:91])-[#6:82]-[#6:83]-[#6:84]-[#7:85]-[#6:86](-[#7:88])=[#7:87])=[#8:80])-[#6:71]-[#6:72]-[#6:73]-[#7:74]-[#6:75](-[#7:77])=[#7:76])=[#8:69])=[#8:65])-[#6:59]-[#6:60](=[#8:62])-[#7:61])=[#8:57])-[#6:48]-[#6:49]-[#6:50]-[#7:51]-[#6:52](-[#7:54])=[#7:53])=[#8:46])-[#6:39]-[#6:40]-[#6:41](=[#8:43])-[#7:42])=[#8:37])-[#6:34])=[#8:32])-[#6:17](=[#8:18])-[#7:16]-[#6:9](-[#6:10]-[#6:11]3:[#7:15]:[#6:14]:[#7:13]:[#6:12]:3)-[#6:7](=[#8:8])-[#7:6]-1):[#6:183]:2)=[#8:178])-[#6:4]", - 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The mature product Canumycin, is trimethylated at the free N-terminus of the Trp1 residue by the N-methyltransferase. ScaA:MRKLLRRVTGRRVNRQAWHIW" - } - ], - "evidence": { - "evidenceCode": [ - "Heterologous expression" - ], - "references": [ - "doi:10.1021/jacs.3c07416" - ] - } - } - ] -} \ No newline at end of file From b5262ea2b10fb6c8bc172b2210791fe865a7f4c6 Mon Sep 17 00:00:00 2001 From: mite-bot Date: Wed, 9 Sep 2026 18:37:02 +0200 Subject: [PATCH 4/4] Add submission --- mite_data/data/MITE9999999.json | 65 +++++++++++++++++++++++++++++++++ 1 file changed, 65 insertions(+) create mode 100644 mite_data/data/MITE9999999.json diff --git a/mite_data/data/MITE9999999.json b/mite_data/data/MITE9999999.json new file mode 100644 index 000000000..aaeb1d9b7 --- /dev/null +++ b/mite_data/data/MITE9999999.json @@ -0,0 +1,65 @@ +{ + "accession": "MITE9999999", + "status": "active", + "comment": "C\u2013N bond formation between W-W on the core peptide WHIW", + "changelog": [ + { + "version": "1", + "date": "2026-07-25", + "contributors": [ + "0009-0008-8086-5325" + ], + "reviewers": [ + "0009-0008-6482-7206" + ], + "comment": "New entry. Added missing Tailoring reaction terms and cofactor. Compresseded the reactions descriptions into 1 description to reduce redundancies. " + } + ], + "enzyme": { + "name": "ScaP", + "description": "Cytochrome P450", + "references": [ + "doi:10.1021/jacs.3c07416" + ], + "databaseIds": { + "uniprot": "UPI001160DEFE" + }, + "cofactors": { + "organic": [ + "Heme", + "NADP" + ], + "inorganic": [ + "Fe" + ] + } + }, + "reactions": [ + { + "tailoring": [ + "Biaryl bond formation", + "Cyclization", + "Oxidation" + ], + "description": "ScaP installs a C-N cross-link (Trp1-C to Trp4-N) on the motif WHIW of ScaA precursor peptide. The mature product Canumycin, is trimethylated at the free N-terminus of the Trp1 residue by the N-methyltransferase. 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