7S1L

Crystal structure of E.coli DsbA in complex with compound MIPS-0001896 (compound 72)

Summary for 7S1L

Entry DOI	10.2210/pdb7s1l/pdb
Descriptor	Thiol:disulfide interchange protein DsbA, methyl cis-4-({[3-(thiophen-3-yl)benzyl]amino}methyl)cyclohexanecarboxylate, COPPER (II) ION, ... (4 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	42780.63
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-2022-262lh PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.623 Å)

Structure validation