8D11

Crystal Structure of EcDsbA in a complex with 1-methyl-1H-pyrazol-5-amine

Summary for 8D11

Entry DOI	10.2210/pdb8d11/pdb
Descriptor	Thiol:disulfide interchange protein DsbA, 1-methyl-1H-pyrazol-5-amine, COPPER (II) ION, ... (4 entities in total)
Functional Keywords	disulfide oxidoreductase, redox protein, microfrag screening, fbdd, fragment, antimicrobial protein, oxidoreductase
Biological source	Escherichia coli K-12
Total number of polymer chains	2
Total formula weight	43053.42
Authors	Whitehouse, R.L.,Ilyichova, O.V.,Taylor, A.J. (deposition date: 2022-05-26, release date: 2022-12-07, Last modification date: 2023-10-25)
Primary citation	Whitehouse, R.L.,Alwan, W.S.,Ilyichova, O.V.,Taylor, A.J.,Chandrashekaran, I.R.,Mohanty, B.,Doak, B.C.,Scanlon, M.J. Fragment screening libraries for the identification of protein hot spots and their minimal binding pharmacophores. Rsc Med Chem, 14:135-143, 2023 Cited by PubMed: 36760747 DOI: 10.1039/d2md00253a PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.85 Å)

Structure validation