2026-03-21_00000131
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ligand
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9PRM
Crystal structure of E.coli DsbA in complex with analogue 20;
X-ray diffraction 2.10Å
Protein #1
187 residues (100% resolved)
Raw Sequence ...
QYEDGKQYTTLEKPVAGAPQVLEFFSFFCPHCYQFEEVLHISDNVKKKLPEGVKMTKYHVNFMGGDLGKDLTQAWAVAMALGVEDKVTVPLFEGVQKTQTIRSASDIRDVFINAGIKGEEYDAAWNSFVVKSLVAQQEKAAADVQLRGVPAMFVNGKYQLNPQGMDTSNMDVFVQQYADTVKYLSEK
Canonical Sequence ...
QYEDGKQYTTLEKPVAGAPQVLEFFSFFCPHCYQFEEVLHISDNVKKKLPEGVKMTKYHVNFMGGDLGKDLTQAWAVAMALGVEDKVTVPLFEGVQKTQTIRSASDIRDVFINAGIKGEEYDAAWNSFVVKSLVAQQEKAAADVQLRGVPAMFVNGKYQLNPQGMDTSNMDVFVQQYADTVKYLSEK
Non polymer #2
A1CJQ
InChI=1S/C30H26FN3O5/c1-20-14-27(34-39-20)30(37)33-24-9-5-8-21(15-24)11-13-29(36)32-25(18-35)16-23-10-12-28(26(31)17-23)38-19-22-6-3-2-4-7-22/h2-10,12,14-15,17,25,35H,16,18-19H2,1H3,(H,32,36)(H,33,37)/t25-/m0/s1
InChI=1S/C30H26FN3O5/c1-20-14-27(34-39-20)30(37)33-24-9-5-8-21(15-24)11-13-29(36)32-25(18-35)16-23-10-12-28(26(31)17-23)38-19-22-6-3-2-4-7-22/h2-10,12,14-15,17,25,35H,16,18-19H2,1H3,(H,32,36)(H,33,37)/t25-/m0/s1
SMILES: Cc1cc(no1)C(=O)Nc2cccc(c2)C#CC(=O)N[C@@H](Cc3ccc(c(c3)F)OCc4ccccc4)CO
Cc1cc(no1)C(=O)Nc2cccc(c2)C#CC(=O)N[C@@H](Cc3ccc(c(c3)F)OCc4ccccc4)CO
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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