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5QKL

Group deposition of library data - Crystal Structure of EcDsbA after initial refinement with no ligand modelled (structure A4_1)

Summary for 5QKL
Entry DOI10.2210/pdb5qkl/pdb
Group depositionCrystal Structures of EcDsbA soaked with a library of unpurified reactions after initial automated refinement (G_1002060)
DescriptorThiol:disulfide interchange protein (2 entities in total)
Functional Keywordsdisulfide oxidoreductase, redox protein, dsba, oxidoreductase
Biological sourceEscherichia coli K-12
Total number of polymer chains2
Total formula weight42310.05
Authors
Ilyichova, O.V.,Bentley, M.R.,Doak, B.C.,Scanlon, M.J. (deposition date: 2019-01-27, release date: 2020-02-05, Last modification date: 2020-07-22)
Primary citationBentley, M.R.,Ilyichova, O.V.,Wang, G.,Williams, M.L.,Sharma, G.,Alwan, W.S.,Whitehouse, R.L.,Mohanty, B.,Scammells, P.J.,Heras, B.,Martin, J.L.,Totsika, M.,Capuano, B.,Doak, B.C.,Scanlon, M.J.
Rapid Elaboration of Fragments into Leads by X-ray Crystallographic Screening of Parallel Chemical Libraries (REFiLX).
J.Med.Chem., 63:6863-6875, 2020
Cited by
PubMed: 32529824
DOI: 10.1021/acs.jmedchem.0c00111
PDB entries with the same primary citation
Experimental method
X-RAY DIFFRACTION (2.697 Å)
Structure validation

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