7S1D

Crystal structure of E.coli DsbA in complex with compound MIPS-0001877 (compound 39)

Summary for 7S1D

• Entry DOI: 10.2210/pdb7s1d/pdb
• Descriptor: Thiol:disulfide interchange protein DsbA, 1-[3-(thiophen-3-yl)benzyl]piperidin-2-one, COPPER (II) ION, ... (4 entities in total)
• Functional Keywords: thioredoxin fold, thiol-disulfide oxidoreductase, inhibitor, dsba, oxidoreductase-inhibitor complex, oxidoreductase, oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase/oxidoreductase inhibitor
• Biological source: Escherichia coli (strain K12)
• Total number of polymer chains: 2
• Total formula weight: 42708.52

Authors

Heras, B.,Scanlon, M.J.,Martin, J.L.,Caria, S. (deposition date: 2021-09-02, release date: 2023-02-08, Last modification date: 2024-04-03)

• Primary citation: Bradley, C.D.,Whitehouse, R.L.,Rimmer, K.,Williams, M.,Heras, B.,Caria, S.,Ilyichova, O.,Vazirani, M.,Mohanty, B.,Harper, J.,Scanlon, M.J.,Simpson, J.S.; Fluoromethylketone-fragment conjugates designed as covalent modifiers of EcDsbA are atypical substrates; Chemrxiv, 2022; DOI: 10.26434/chemrxiv-2022-262lh

Experimental method

X-RAY DIFFRACTION (1.59 Å)