2026-03-21_00000129
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ligand
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9PRK
Crystal structure of E.coli DsbA in complex with analogue 17;
X-ray diffraction 1.76Å
Protein #1
188 residues (99% resolved)
Raw Sequence ...
AQYEDGKQYTTLEKPVAGAPQVLEFFSFFCPHCYQFEEVLHISDNVKKKLPEGVKMTKYHVNFMGGDLGKDLTQAWAVAMALGVEDKVTVPLFEGVQKTQTIRSASDIRDVFINAGIKGEEYDAAWNSFVVKSLVAQQEKAAADVQLRGVPAMFVNGKYQLNPQGMDTSNMDVFVQQYADTVKYLSEK
Canonical Sequence ...
AQYEDGKQYTTLEKPVAGAPQVLEFFSFFCPHCYQFEEVLHISDNVKKKLPEGVKMTKYHVNFMGGDLGKDLTQAWAVAMALGVEDKVTVPLFEGVQKTQTIRSASDIRDVFINAGIKGEEYDAAWNSFVVKSLVAQQEKAAADVQLRGVPAMFVNGKYQLNPQGMDTSNMDVFVQQYADTVKYLSEK
Non polymer #2
A1CJO
InChI=1S/C26H23F2N3O6/c1-15-8-23(31-37-15)26(35)30-18-5-3-4-16(9-18)6-7-24(33)29-19(14-32)10-17-11-21(27)20(22(28)12-17)13-25(34)36-2/h3-5,8-9,11-12,19,32H,10,13-14H2,1-2H3,(H,29,33)(H,30,35)/t19-/m0/s1
InChI=1S/C26H23F2N3O6/c1-15-8-23(31-37-15)26(35)30-18-5-3-4-16(9-18)6-7-24(33)29-19(14-32)10-17-11-21(27)20(22(28)12-17)13-25(34)36-2/h3-5,8-9,11-12,19,32H,10,13-14H2,1-2H3,(H,29,33)(H,30,35)/t19-/m0/s1
SMILES: Cc1cc(no1)C(=O)Nc2cccc(c2)C#CC(=O)N[C@@H](Cc3cc(c(c(c3)F)CC(=O)OC)F)CO
Cc1cc(no1)C(=O)Nc2cccc(c2)C#CC(=O)N[C@@H](Cc3cc(c(c(c3)F)CC(=O)OC)F)CO
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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