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TitleDetermination of ligand binding modes in weak protein-ligand complexes using sparse NMR data.
Journal, issue, pagesJ. Biomol. Nmr, Vol. 66, Page 195-208, Year 2016
Publish dateAug 22, 2016 (structure data deposition date)
AuthorsMohanty, B. / Williams, M.L. / Doak, B.C. / Vazirani, M. / Ilyichova, O. / Wang, G. / Bermel, W. / Simpson, J.S. / Chalmers, D.K. / King, G.F. ...Mohanty, B. / Williams, M.L. / Doak, B.C. / Vazirani, M. / Ilyichova, O. / Wang, G. / Bermel, W. / Simpson, J.S. / Chalmers, D.K. / King, G.F. / Mobli, M. / Scanlon, M.J.
External linksJ. Biomol. Nmr / PubMed:27778134
MethodsNMR (solution) / X-ray diffraction
Resolution1.78 Å
Structure data

PDB-2ndo:
Structure of EcDsbA-sulfonamide1 complex
Method: SOLUTION NMR

PDB-4zij:
Crystal structure of E.Coli DsbA in complex with 2-(4-iodophenylsulfonamido) benzoic acid
Method: X-RAY DIFFRACTION / Resolution: 1.78 Å

Chemicals

ChemComp-SFQ:
2-{[(4-iodophenyl)sulfonyl]amino}benzoic acid

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-HOH:
WATER

Source
  • escherichia coli k-12 (bacteria)
  • escherichia coli (E. coli)
KeywordsOXIDOREDUCTASES / Oxidised EcDsbA / Sulfonamide / OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR / DISULFIDE OXIDOREDUCTASE / REDOX PROTEIN / DSBA / OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR complex

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