2024-10-12_00000240
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ligand
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9EMK
DupA from legionella covalently bound to ubiquitin-based probe;
X-ray diffraction 2.17Å
Protein #1
347 residues (90% resolved)
Raw Sequence ...
GAMGSILDPEVLKVAEYVYQERLSKPYTEVGPEWEYNHKTPYATRATGTGHNLQRFITIDDQRLHRPIHGLAHTMRTLFYSQLMYEAAKRQPHPHRCADGRTIADLSVQDLKKLNIAQLFFVAGRESEASYGDAYHRYHLYGAKQFEAYARKHLTHLFSEKEIVLYSRCIEDRIGDRFDETAEGYLIHLSHMIDLMRCKSPVEVFIGHSRGVSGIVPTLIQLFGREDGLDIMHYARSLFAATGEAVPYISSSEWPHLGIESDRVERALKIVGSLEVEGQEADAKKTAQAGFSVDGCYGALVKIDTPDWYHQVKEKEDYDVDEVIALPPQITIREEPPKTNESFLLSL
Canonical Sequence ...
GAMGSILDPEVLKVAEYVYQERLSKPYTEVGPEWEYNHKTPYATRATGTGHNLQRFITIDDQRLHRPIHGLAHTMRTLFYSQLMYEAAKRQPHPHRCADGRTIADLSVQDLKKLNIAQLFFVAGRESEASYGDAYHRYHLYGAKQFEAYARKHLTHLFSEKEIVLYSRCIEDRIGDRFDETAEGYLIHLSHMIDLMRCKSPVEVFIGHSRGVSGIVPTLIQLFGREDGLDIMHYARSLFAATGEAVPYISSSEWPHLGIESDRVERALKIVGSLEVEGQEADAKKTAQAGFSVDGCYGALVKIDTPDWYHQVKEKEDYDVDEVIALPPQITIREEPPKTNESFLLSL
Protein #2
76 residues (100% resolved)
Raw Sequence ...
MQIFVKTLTGKTITLEVEPSDTIENVKAKIQDKEGIPPDQQ(ABA)LIFAGKQLEDGRTLSDYNIQKESTLHLVLRLRGG
Canonical Sequence ...
MQIFVKTLTGKTITLEVEPSDTIENVKAKIQDKEGIPPDQQALIFAGKQLEDGRTLSDYNIQKESTLHLVLRLRGG
Non polymer #3
A1H50
InChI=1S/C10H17N3O7S/c1-2-21(16,17)19-5-7-8(14)9(15)10(20-7)18-4-6-3-11-13-12-6/h3,7-10,14-15H,2,4-5H2,1H3,(H,11,12,13)/t7-,8-,9-,10+/m1/s1
InChI=1S/C10H17N3O7S/c1-2-21(16,17)19-5-7-8(14)9(15)10(20-7)18-4-6-3-11-13-12-6/h3,7-10,14-15H,2,4-5H2,1H3,(H,11,12,13)/t7-,8-,9-,10+/m1/s1
SMILES: CCS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@H](O1)OCc2c[nH]nn2)O)O
CCS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@H](O1)OCc2c[nH]nn2)O)O
Biounit #1
hetero-1-1-mer
Download coordinates
Biounit #2
hetero-1-1-mer
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Biounit #3
hetero-1-1-mer
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Model
Reference
100%