6WHD

Crystal structure of E.coli DsbA in complex with diaryl ether analogue 2

Summary for 6WHD

Entry DOI	10.2210/pdb6whd/pdb
Descriptor	Thiol:disulfide interchange protein DsbA, [4-(4-cyano-3-methylphenoxy)phenyl]acetic acid, COPPER (II) ION, ... (4 entities in total)
Functional Keywords	inhibitor, complex, oxidoreductase, oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase-inhibitor complex, oxidoreductase/inhibitor
Biological source	Escherichia coli (strain K12)
Total number of polymer chains	2
Total formula weight	42908.15
Authors	Wang, G.,Heras, B. (deposition date: 2020-04-08, release date: 2020-06-24, Last modification date: 2023-10-18)
Primary citation	Bentley, M.R.,Ilyichova, O.V.,Wang, G.,Williams, M.L.,Sharma, G.,Alwan, W.S.,Whitehouse, R.L.,Mohanty, B.,Scammells, P.J.,Heras, B.,Martin, J.L.,Totsika, M.,Capuano, B.,Doak, B.C.,Scanlon, M.J. Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiLX). J.Med.Chem., 63:6863-6875, 2020 Cited by PubMed: 32529824 DOI: 10.1021/acs.jmedchem.0c00111 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.99 Å)

Structure validation