6PIQ

Crystal Structure of EcDsbA in a complex with unpurified reaction product G6 (pyrazole 9)

Summary for 6PIQ

Entry DOI	10.2210/pdb6piq/pdb
Related	6PDH
Descriptor	Thiol:disulfide interchange protein DsbA, 2-[4-(4-cyano-3-methylphenoxy)phenyl]-N-ethyl-N-[2-(1H-pyrazol-1-yl)ethyl]acetamide, COPPER (II) ION, ... (4 entities in total)
Functional Keywords	disulfide oxidoreductase, redox protein, oxidoreductase-inhibitor complex, refilx, oxidoreductase, oxidoreductase/inhibitor
Biological source	Escherichia coli (strain K12)
Total number of polymer chains	2
Total formula weight	42762.06
Authors	Ilyichova, O.V.,Bentley, M.,Doak, B.,Scanlon, M.J. (deposition date: 2019-06-26, release date: 2020-07-01, Last modification date: 2023-10-11)
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 (REFiL X ). 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 (2.1 Å)

Structure validation