2026-03-21_00000123|ligand|9PRE

Crystal structure of oxidised E.coli DsbA in complex with propiolic acid; X-ray diffraction 1.68Å
Protein #1 188 residues (100% resolved)

AQYEDGKQYTTLEKPVAGAPQVLEFFSFFCPHCYQFEEVLHISDNVKKKLPEGVKMTKYHVNFMGGDLGKDLTQAWAVAMALGVEDKVTVPLFEGVQKTQTIRSASDIRDVFINAGIKGEEYDAAWNSFVVKSLVAQQEKAAADVQLRGVPAMFVNGKYQLNPQGMDTSNMDVFVQQYADTVKYLSEK

AQYEDGKQYTTLEKPVAGAPQVLEFFSFFCPHCYQFEEVLHISDNVKKKLPEGVKMTKYHVNFMGGDLGKDLTQAWAVAMALGVEDKVTVPLFEGVQKTQTIRSASDIRDVFINAGIKGEEYDAAWNSFVVKSLVAQQEKAAADVQLRGVPAMFVNGKYQLNPQGMDTSNMDVFVQQYADTVKYLSEK
Non polymer #2 A1CJH

InChI=1S/C14H10N2O4/c1-9-7-12(16-20-9)14(19)15-11-4-2-3-10(8-11)5-6-13(17)18/h2-4,7-8H,1H3,(H,15,19)(H,17,18)

Cc1cc(no1)C(=O)Nc2cccc(c2)C#CC(=O)O
Non polymer #3 ZN

InChI=1S/Zn/q+2

[Zn+2]
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Reference