Skip to content

Contributor submission ChlH #679

New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

Sign up for GitHub

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Open
mite-bot wants to merge 4 commits into
base: main
Choose a base branch
from
Open

Contributor submission ChlH #679

Changes from all commits
Commits
Show all changes
4 commits
Select commit Hold shift + click to select a range
9ce92c4
Add submission UUID file
mite-bot Jun 10, 2026
3455f32
Update submission
mite-bot Jun 10, 2026
58d74fc
Delete mite_data/data/c4224e36-64b5-11f1-8c13-d1bbc094d4fb.json
mite-bot Jun 10, 2026
a70216f
Add submission
mite-bot Jun 10, 2026
File filter

Filter by extension

Filter by extension
Conversations
Failed to load comments.
Loading
Jump to
Jump to file
Failed to load files.
Loading
Diff view
Diff view
118 changes: 118 additions & 0 deletions mite_data/data/MITE9999999.json
View file
Open in desktop
Original file line number Diff line number Diff line change
@@ -0,0 +1,118 @@
{
"accession": "MITE9999999",
"status": "active",
"comment": "Halogenation of ChlA prescurser peptide in the chlorolassin pathway. Dichloration is the most likley outcome. Terminal tryptophan (Pos: 14) is never chorinated.",
"changelog": [
{
"version": "1",
"date": "2026-06-10",
"contributors": [
"0009-0000-8651-1669"
],
"reviewers": [
"0000-0001-6534-6609"
],
"comment": "New entry."
}
],
"enzyme": {
"name": "ChlH",
"description": "Flavin-dependent halogenase",
"references": [
"doi:10.1021/acs.jnatprod.4c01199"
],
"auxiliaryEnzymes": [
{
"name": "ChlR",
"description": "flavin reductase",
"databaseIds": {
"uniprot": "UPI000B7F5C59"
}
}
],
"databaseIds": {
"uniprot": "A0A1H0TT13",
"genpept": "SDP57011.1"
}
},
"reactions": [
{
"tailoring": [
"Halogenation"
],
"description": "Minimal aminoacid sequence necessary for Chloration: ChlA(-7) DFADLTNGIGSQNPWDTAWLWD",
"reactionSMARTS": "[#6:1]-[#6:2]-[#6@@:3](-[#6@@:5](\\[#6:66](-[#7:68]-[#6:69]-[#6:70](-[#7:72]/[#6@:73](-[#6:76](-[#7:78]/[#6@:79](-[#6:85](-[#7:87]\\[#6@:88](-[#6:93](-[#7:95]1-[#6@:99](\\[#6:100](-[#7:102]/[#6@:103](-[#6:114](-[#7:116]/[#6@:117](-[#6:122](-[#7:124]\\[#6@@:125](-[#6@:178](-[#8:180])\\[#6:179])-[#6:126](-[#7:128]-[#6@:129](-[#6:131](-[#7:133]\\[#6@:134](-[#6:145](-[#7:147]/[#6@:148](-[#6:153](-[#7:155]\\[#6@:156](-[#6:167](-[#7:169]/[#6@:170](-[#6:175](-[#8:177])=[#8:176])-[#6:171]-[#6:172](-[#8:174])=[#8:173])=[#8:168])-[#6:157]-[#6:158]2:[#6:166]3:[#6:161](:[#6:162]:[#6:163]:[#6:164]:[#6:165]:3):[#7:160]:[#6:159]:2)=[#8:154])-[#6:149]-[#6:150](-[#6:152])-[#6:151])=[#8:146])-[#6:135]-[#6:136]2:[#6:144]3:[#6:139](:[#6:140]:[#6:141]:[#6:142]:[#6:143]:3):[#7:138]:[#6:137]:2)=[#8:132])/[#6:130])=[#8:127])=[#8:123])-[#6:118]-[#6:119](-[#8:121])=[#8:120])=[#8:115])-[#6:104]-[#6:105]2:[#6:113]3:[#6:108](:[#6:109]:[#6:110]:[#6:111]:[#6:112]:3):[#7:107]:[#6:106]:2)=[#8:101])-[#6:98]-[#6:97]-[#6:96]-1)=[#8:94])-[#6:89]-[#6:90](=[#8:92])-[#7:91])=[#8:86])-[#6:80]-[#6:81]-[#6:82](=[#8:84])-[#7:83])=[#8:77])-[#6:74]-[#8:75])=[#8:71])=[#8:67])-[#7:6]-[#6:7](-[#6:9]-[#7:10]-[#6:11](\\[#6@@:13](-[#7:18]-[#6:19](/[#6@:21](-[#6@:63](-[#8:65])\\[#6:64])-[#7:22]-[#6:23](\\[#6@@:25](-[#7:30]-[#6:31](/[#6@@:33](-[#7:38]-[#6:39](-[#6@@:41](-[#7:43]-[#6:44](\\[#6@@:46](-[#7:54]-[#6:55](-[#6@:57](-[#6:59]-[#6:60](-[#8:62])=[#8:61])/[#7:58])=[#8:56])-[#6:47]-[#6:48]1:[#6:53]:[#6:52]:[#6:51]:[#6:50]:[#6:49]:1)=[#8:45])\\[#6:42])=[#8:40])-[#6:34]-[#6:35](-[#8:37])=[#8:36])=[#8:32])-[#6:26]-[#6:27](-[#6:29])-[#6:28])=[#8:24])=[#8:20])-[#6:14]-[#6:15](=[#8:17])-[#7:16])=[#8:12])=[#8:8])/[#6:4]>>[#6:1]-[#6:2]-[#6@@:3](-[#6@@:5](\\[#6:66](-[#7:68]-[#6:69]-[#6:70](-[#7:72]/[#6@:73](-[#6:76](-[#7:78]/[#6@:79](-[#6:85](-[#7:87]\\[#6@:88](-[#6:93](-[#7:95]1-[#6@:99](\\[#6:100](-[#7:102]/[#6@:103](-[#6:114](-[#7:116]/[#6@:117](-[#6:122](-[#7:124]\\[#6@@:125](-[#6@:178](-[#8:180])\\[#6:179])-[#6:126](-[#7:128]-[#6@:129](-[#6:131](-[#7:133]\\[#6@:134](-[#6:145](-[#7:147]/[#6@:148](-[#6:153](-[#7:155]\\[#6@:156](-[#6:167](-[#7:169]/[#6@:170](-[#6:175](-[#8:177])=[#8:176])-[#6:171]-[#6:172](-[#8:174])=[#8:173])=[#8:168])-[#6:157]-[#6:158]2:[#6:166]3:[#6:161](:[#6:162]:[#6:163]:[#6:164]:[#6:165]:3):[#7:160]:[#6:159]:2)=[#8:154])-[#6:149]-[#6:150](-[#6:151])-[#6:152])=[#8:146])-[#6:135]-[#6:136]2:[#6:144]3:[#6:139](:[#6:140]:[#6:141]:[#6:142]:[#6:143]:3):[#7:138]:[#6:137]:2)=[#8:132])/[#6:130])=[#8:127])=[#8:123])-[#6:118]-[#6:119](-[#8:121])=[#8:120])=[#8:115])-[#6:104]-[#6:105]2:[#6:113]3:[#6:108](:[#6:109]:[#6:110]:[#6:111](-[Cl]):[#6:112]:3):[#7:107]:[#6:106]:2)=[#8:101])-[#6:98]-[#6:97]-[#6:96]-1)=[#8:94])-[#6:89]-[#6:90](=[#8:92])-[#7:91])=[#8:86])-[#6:80]-[#6:81]-[#6:82](=[#8:84])-[#7:83])=[#8:77])-[#6:74]-[#8:75])=[#8:71])=[#8:67])-[#7:6]-[#6:7](-[#6:9]-[#7:10]-[#6:11](\\[#6@@:13](-[#7:18]-[#6:19](/[#6@:21](-[#6@:63](-[#8:65])\\[#6:64])-[#7:22]-[#6:23](\\[#6@@:25](-[#7:30]-[#6:31](/[#6@@:33](-[#7:38]-[#6:39](-[#6@@:41](-[#7:43]-[#6:44](\\[#6@@:46](-[#7:54]-[#6:55](-[#6@:57](-[#6:59]-[#6:60](-[#8:62])=[#8:61])/[#7:58])=[#8:56])-[#6:47]-[#6:48]1:[#6:53]:[#6:52]:[#6:51]:[#6:50]:[#6:49]:1)=[#8:45])\\[#6:42])=[#8:40])-[#6:34]-[#6:35](-[#8:37])=[#8:36])=[#8:32])-[#6:26]-[#6:27](-[#6:29])-[#6:28])=[#8:24])=[#8:20])-[#6:14]-[#6:15](=[#8:17])-[#7:16])=[#8:12])=[#8:8])/[#6:4]",
"reactions": [
{
"substrate": "CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(=O)O)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)O)[C@@H](C)O",
"products": [
"CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(=O)O)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccc(Cl)cc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)O)[C@@H](C)O"
],
"isIntermediate": false,
"description": "Single chlorination of tryptophan (Pos: 8)"
}
],
"evidence": {
"evidenceCode": [
"Heterologous expression",
"In vitro assay"
],
"references": [
"doi:10.1021/acs.jnatprod.4c01199"
]
}
},
{
"tailoring": [
"Halogenation"
],
"description": "Minimal aminoacid sequence necessary for Chloration: ChlA(-7) DFADLTNGIGSQNPWDTAWLWD",
"reactionSMARTS": "[#6:1]-[#6:2]-[#6@@:3](-[#6@@:5](\\[#6:66](-[#7:68]-[#6:69]-[#6:70](-[#7:72]/[#6@:73](-[#6:76](-[#7:78]/[#6@:79](-[#6:85](-[#7:87]\\[#6@:88](-[#6:93](-[#7:95]1-[#6@:99](\\[#6:100](-[#7:102]/[#6@:103](-[#6:114](-[#7:116]/[#6@:117](-[#6:122](-[#7:124]\\[#6@@:125](-[#6@:178](-[#8:180])\\[#6:179])-[#6:126](-[#7:128]-[#6@:129](-[#6:131](-[#7:133]\\[#6@:134](-[#6:145](-[#7:147]/[#6@:148](-[#6:153](-[#7:155]\\[#6@:156](-[#6:167](-[#7:169]/[#6@:170](-[#6:175](-[#8:177])=[#8:176])-[#6:171]-[#6:172](-[#8:174])=[#8:173])=[#8:168])-[#6:157]-[#6:158]2:[#6:166]3:[#6:161](:[#6:162]:[#6:163]:[#6:164]:[#6:165]:3):[#7:160]:[#6:159]:2)=[#8:154])-[#6:149]-[#6:150](-[#6:152])-[#6:151])=[#8:146])-[#6:135]-[#6:136]2:[#6:144]3:[#6:139](:[#6:140]:[#6:141]:[#6:142]:[#6:143]:3):[#7:138]:[#6:137]:2)=[#8:132])/[#6:130])=[#8:127])=[#8:123])-[#6:118]-[#6:119](-[#8:121])=[#8:120])=[#8:115])-[#6:104]-[#6:105]2:[#6:113]3:[#6:108](:[#6:109]:[#6:110]:[#6:111]:[#6:112]:3):[#7:107]:[#6:106]:2)=[#8:101])-[#6:98]-[#6:97]-[#6:96]-1)=[#8:94])-[#6:89]-[#6:90](=[#8:92])-[#7:91])=[#8:86])-[#6:80]-[#6:81]-[#6:82](=[#8:84])-[#7:83])=[#8:77])-[#6:74]-[#8:75])=[#8:71])=[#8:67])-[#7:6]-[#6:7](-[#6:9]-[#7:10]-[#6:11](\\[#6@@:13](-[#7:18]-[#6:19](/[#6@:21](-[#6@:63](-[#8:65])\\[#6:64])-[#7:22]-[#6:23](\\[#6@@:25](-[#7:30]-[#6:31](/[#6@@:33](-[#7:38]-[#6:39](-[#6@@:41](-[#7:43]-[#6:44](\\[#6@@:46](-[#7:54]-[#6:55](-[#6@:57](-[#6:59]-[#6:60](-[#8:62])=[#8:61])/[#7:58])=[#8:56])-[#6:47]-[#6:48]1:[#6:53]:[#6:52]:[#6:51]:[#6:50]:[#6:49]:1)=[#8:45])\\[#6:42])=[#8:40])-[#6:34]-[#6:35](-[#8:37])=[#8:36])=[#8:32])-[#6:26]-[#6:27](-[#6:29])-[#6:28])=[#8:24])=[#8:20])-[#6:14]-[#6:15](=[#8:17])-[#7:16])=[#8:12])=[#8:8])/[#6:4]>>[#6:1]-[#6:2]-[#6@@:3](-[#6@@:5](\\[#6:66](-[#7:68]-[#6:69]-[#6:70](-[#7:72]/[#6@:73](-[#6:76](-[#7:78]/[#6@:79](-[#6:85](-[#7:87]\\[#6@:88](-[#6:93](-[#7:95]1-[#6@:99](\\[#6:100](-[#7:102]/[#6@:103](-[#6:114](-[#7:116]/[#6@:117](-[#6:122](-[#7:124]\\[#6@@:125](-[#6@:178](-[#8:180])\\[#6:179])-[#6:126](-[#7:128]-[#6@:129](-[#6:131](-[#7:133]\\[#6@:134](-[#6:145](-[#7:147]/[#6@:148](-[#6:153](-[#7:155]\\[#6@:156](-[#6:167](-[#7:169]/[#6@:170](-[#6:175](-[#8:177])=[#8:176])-[#6:171]-[#6:172](-[#8:174])=[#8:173])=[#8:168])-[#6:157]-[#6:158]2:[#6:166]3:[#6:161](:[#6:162]:[#6:163]:[#6:164]:[#6:165]:3):[#7:160]:[#6:159]:2)=[#8:154])-[#6:149]-[#6:150](-[#6:151])-[#6:152])=[#8:146])-[#6:135]-[#6:136]2:[#6:144]3:[#6:139](:[#6:140]:[#6:141]:[#6:142](-[Cl]):[#6:143]:3):[#7:138]:[#6:137]:2)=[#8:132])/[#6:130])=[#8:127])=[#8:123])-[#6:118]-[#6:119](-[#8:121])=[#8:120])=[#8:115])-[#6:104]-[#6:105]2:[#6:113]3:[#6:108](:[#6:109]:[#6:110]:[#6:111]:[#6:112]:3):[#7:107]:[#6:106]:2)=[#8:101])-[#6:98]-[#6:97]-[#6:96]-1)=[#8:94])-[#6:89]-[#6:90](=[#8:92])-[#7:91])=[#8:86])-[#6:80]-[#6:81]-[#6:82](=[#8:84])-[#7:83])=[#8:77])-[#6:74]-[#8:75])=[#8:71])=[#8:67])-[#7:6]-[#6:7](-[#6:9]-[#7:10]-[#6:11](\\[#6@@:13](-[#7:18]-[#6:19](/[#6@:21](-[#6@:63](-[#8:65])\\[#6:64])-[#7:22]-[#6:23](\\[#6@@:25](-[#7:30]-[#6:31](/[#6@@:33](-[#7:38]-[#6:39](-[#6@@:41](-[#7:43]-[#6:44](\\[#6@@:46](-[#7:54]-[#6:55](-[#6@:57](-[#6:59]-[#6:60](-[#8:62])=[#8:61])/[#7:58])=[#8:56])-[#6:47]-[#6:48]1:[#6:53]:[#6:52]:[#6:51]:[#6:50]:[#6:49]:1)=[#8:45])\\[#6:42])=[#8:40])-[#6:34]-[#6:35](-[#8:37])=[#8:36])=[#8:32])-[#6:26]-[#6:27](-[#6:29])-[#6:28])=[#8:24])=[#8:20])-[#6:14]-[#6:15](=[#8:17])-[#7:16])=[#8:12])=[#8:8])/[#6:4]",
"reactions": [
{
"substrate": "CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(=O)O)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)O)[C@@H](C)O",
"products": [
"CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(=O)O)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccc(Cl)cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)O)[C@@H](C)O"
],
"isIntermediate": false,
"description": "Single chlorination of tryptophan (Pos: 12)"
}
],
"evidence": {
"evidenceCode": [
"Heterologous expression",
"In vitro assay"
],
"references": [
"doi:10.1021/acs.jnatprod.4c01199"
]
}
},
{
"tailoring": [
"Halogenation"
],
"description": "Minimal aminoacid sequence necessary for Chloration: ChlA(-7) DFADLTNGIGSQNPWDTAWLWD",
"reactionSMARTS": "[#6:1]-[#6:2]-[#6@@:3](-[#6@@:5](\\[#6:66](-[#7:68]-[#6:69]-[#6:70](-[#7:72]/[#6@:73](-[#6:76](-[#7:78]/[#6@:79](-[#6:85](-[#7:87]\\[#6@:88](-[#6:93](-[#7:95]1-[#6@:99](\\[#6:100](-[#7:102]/[#6@:103](-[#6:114](-[#7:116]/[#6@:117](-[#6:122](-[#7:124]\\[#6@@:125](-[#6@:178](-[#8:180])\\[#6:179])-[#6:126](-[#7:128]-[#6@:129](-[#6:131](-[#7:133]\\[#6@:134](-[#6:145](-[#7:147]/[#6@:148](-[#6:153](-[#7:155]\\[#6@:156](-[#6:167](-[#7:169]/[#6@:170](-[#6:175](-[#8:177])=[#8:176])-[#6:171]-[#6:172](-[#8:174])=[#8:173])=[#8:168])-[#6:157]-[#6:158]2:[#6:166]3:[#6:161](:[#6:162]:[#6:163]:[#6:164]:[#6:165]:3):[#7:160]:[#6:159]:2)=[#8:154])-[#6:149]-[#6:150](-[#6:152])-[#6:151])=[#8:146])-[#6:135]-[#6:136]2:[#6:144]3:[#6:139](:[#6:140]:[#6:141]:[#6:142]:[#6:143]:3):[#7:138]:[#6:137]:2)=[#8:132])/[#6:130])=[#8:127])=[#8:123])-[#6:118]-[#6:119](-[#8:121])=[#8:120])=[#8:115])-[#6:104]-[#6:105]2:[#6:113]3:[#6:108](:[#6:109]:[#6:110]:[#6:111]:[#6:112]:3):[#7:107]:[#6:106]:2)=[#8:101])-[#6:98]-[#6:97]-[#6:96]-1)=[#8:94])-[#6:89]-[#6:90](=[#8:92])-[#7:91])=[#8:86])-[#6:80]-[#6:81]-[#6:82](=[#8:84])-[#7:83])=[#8:77])-[#6:74]-[#8:75])=[#8:71])=[#8:67])-[#7:6]-[#6:7](-[#6:9]-[#7:10]-[#6:11](\\[#6@@:13](-[#7:18]-[#6:19](/[#6@:21](-[#6@:63](-[#8:65])\\[#6:64])-[#7:22]-[#6:23](\\[#6@@:25](-[#7:30]-[#6:31](/[#6@@:33](-[#7:38]-[#6:39](-[#6@@:41](-[#7:43]-[#6:44](\\[#6@@:46](-[#7:54]-[#6:55](-[#6@:57](-[#6:59]-[#6:60](-[#8:62])=[#8:61])/[#7:58])=[#8:56])-[#6:47]-[#6:48]1:[#6:53]:[#6:52]:[#6:51]:[#6:50]:[#6:49]:1)=[#8:45])\\[#6:42])=[#8:40])-[#6:34]-[#6:35](-[#8:37])=[#8:36])=[#8:32])-[#6:26]-[#6:27](-[#6:29])-[#6:28])=[#8:24])=[#8:20])-[#6:14]-[#6:15](=[#8:17])-[#7:16])=[#8:12])=[#8:8])/[#6:4]>>[#6:1]-[#6:2]-[#6@@:3](-[#6@@:5](\\[#6:66](-[#7:68]-[#6:69]-[#6:70](-[#7:72]/[#6@:73](-[#6:76](-[#7:78]/[#6@:79](-[#6:85](-[#7:87]\\[#6@:88](-[#6:93](-[#7:95]1-[#6@:99](\\[#6:100](-[#7:102]/[#6@:103](-[#6:114](-[#7:116]/[#6@:117](-[#6:122](-[#7:124]\\[#6@@:125](-[#6@:178](-[#8:180])\\[#6:179])-[#6:126](-[#7:128]-[#6@:129](-[#6:131](-[#7:133]\\[#6@:134](-[#6:145](-[#7:147]/[#6@:148](-[#6:153](-[#7:155]\\[#6@:156](-[#6:167](-[#7:169]/[#6@:170](-[#6:175](-[#8:177])=[#8:176])-[#6:171]-[#6:172](-[#8:174])=[#8:173])=[#8:168])-[#6:157]-[#6:158]2:[#6:166]3:[#6:161](:[#6:162]:[#6:163]:[#6:164]:[#6:165]:3):[#7:160]:[#6:159]:2)=[#8:154])-[#6:149]-[#6:150](-[#6:151])-[#6:152])=[#8:146])-[#6:135]-[#6:136]2:[#6:144]3:[#6:139](:[#6:140]:[#6:141]:[#6:142](-[Cl]):[#6:143]:3):[#7:138]:[#6:137]:2)=[#8:132])/[#6:130])=[#8:127])=[#8:123])-[#6:118]-[#6:119](-[#8:121])=[#8:120])=[#8:115])-[#6:104]-[#6:105]2:[#6:113]3:[#6:108](:[#6:109]:[#6:110]:[#6:111](-[Cl]):[#6:112]:3):[#7:107]:[#6:106]:2)=[#8:101])-[#6:98]-[#6:97]-[#6:96]-1)=[#8:94])-[#6:89]-[#6:90](=[#8:92])-[#7:91])=[#8:86])-[#6:80]-[#6:81]-[#6:82](=[#8:84])-[#7:83])=[#8:77])-[#6:74]-[#8:75])=[#8:71])=[#8:67])-[#7:6]-[#6:7](-[#6:9]-[#7:10]-[#6:11](\\[#6@@:13](-[#7:18]-[#6:19](/[#6@:21](-[#6@:63](-[#8:65])\\[#6:64])-[#7:22]-[#6:23](\\[#6@@:25](-[#7:30]-[#6:31](/[#6@@:33](-[#7:38]-[#6:39](-[#6@@:41](-[#7:43]-[#6:44](\\[#6@@:46](-[#7:54]-[#6:55](-[#6@:57](-[#6:59]-[#6:60](-[#8:62])=[#8:61])/[#7:58])=[#8:56])-[#6:47]-[#6:48]1:[#6:53]:[#6:52]:[#6:51]:[#6:50]:[#6:49]:1)=[#8:45])\\[#6:42])=[#8:40])-[#6:34]-[#6:35](-[#8:37])=[#8:36])=[#8:32])-[#6:26]-[#6:27](-[#6:29])-[#6:28])=[#8:24])=[#8:20])-[#6:14]-[#6:15](=[#8:17])-[#7:16])=[#8:12])=[#8:8])/[#6:4]",
"reactions": [
{
"substrate": "CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(=O)O)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)O)[C@@H](C)O",
"products": [
"CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(=O)O)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccc(Cl)cc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccc(Cl)cc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)O)[C@@H](C)O"
],
"isIntermediate": false,
"description": "Iterativ dichlorination of tryptophan (Pos: 8 and 12)"
}
],
"evidence": {
"evidenceCode": [
"Heterologous expression",
"In vitro assay"
],
"references": [
"doi:10.1021/acs.jnatprod.4c01199"
]
}
}
]
}
Loading