7LHP

Crystal Structure of EcDsbA in a complex with methyl 2-(6-bromo-2-phenylbenzofuran-3-yl)acetate

Summary for 7LHP

Entry DOI	10.2210/pdb7lhp/pdb
Descriptor	Thiol:disulfide interchange protein DsbA, (6-bromo-2-phenyl-1-benzofuran-3-yl)acetic acid, COPPER (II) ION, ... (4 entities in total)
Functional Keywords	disulfide oxidoreductase, redox protein, oxidoreductase-inhibitor complex, oxidoreductase, oxidoreductase/inhibitor
Biological source	Escherichia coli (strain K12)
Total number of polymer chains	2
Total formula weight	42704.76
Authors	Ilyichova, O.V.,Scanlon, M.J. (deposition date: 2021-01-26, release date: 2021-08-11, Last modification date: 2023-10-18)
Primary citation	Duncan, L.F.,Wang, G.,Ilyichova, O.V.,Dhouib, R.,Totsika, M.,Scanlon, M.J.,Heras, B.,Abbott, B.M. Elaboration of a benzofuran scaffold and evaluation of binding affinity and inhibition of Escherichia coli DsbA: A fragment-based drug design approach to novel antivirulence compounds. Bioorg.Med.Chem., 45:116315-116315, 2021 Cited by PubMed: 34364222 DOI: 10.1016/j.bmc.2021.116315 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.9 Å)

Structure validation