6XSP
Crystal structure of E.coli DsbA in complex with 2-(2,6-bis(3-methoxyphenyl)benzofuran-3-yl)acetic acid
Summary for 6XSP
Entry DOI | 10.2210/pdb6xsp/pdb |
Descriptor | Thiol:disulfide interchange protein DsbA, [2,6-bis(3-methoxyphenyl)-1-benzofuran-3-yl]acetic acid, COPPER (II) ION, ... (4 entities in total) |
Functional Keywords | inhibitor, complex, disulfide oxidoreductase, fragments, oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase, oxidoreductase-inhibitor complex, oxidoreductase/inhibitor |
Biological source | Escherichia coli (strain K12) |
Total number of polymer chains | 2 |
Total formula weight | 42762.01 |
Authors | |
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: 34364222DOI: 10.1016/j.bmc.2021.116315 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.3 Å) |
Structure validation
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