7S1F
Crystal structure of E.coli DsbA in complex with compound MIPS-0001886 (compound 38)
Summary for 7S1F
Entry DOI | 10.2210/pdb7s1f/pdb |
Descriptor | Thiol:disulfide interchange protein DsbA, 1-[(3-thiophen-3-ylphenyl)methyl]-3~{H}-pyrrol-2-one, COPPER (II) ION, ... (5 entities in total) |
Functional Keywords | thioredoxin fold, thiol-disulfide oxidoreductase, inhibitor, dsba, oxidoreductase, oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase/oxidoreductase inhibitor |
Biological source | Escherichia coli (strain K12) |
Total number of polymer chains | 2 |
Total formula weight | 42784.57 |
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 Cited by DOI: 10.26434/chemrxiv-2022-262lhPDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.76 Å) |
Structure validation
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