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Structure paper

TitleStructural Basis for the Inhibition of HSP70 and DnaK Chaperones by Small-Molecule Targeting of a C-Terminal Allosteric Pocket.
Journal, issue, pagesAcs Chem. Biol., Vol. 9, Page 2508-2516, Year 2014
Publish dateAug 21, 2014 (structure data deposition date)
AuthorsLeu, J.I. / Zhang, P. / Murphy, M.E. / Marmorstein, R. / George, D.L.
External linksAcs Chem. Biol. / PubMed:25148104
MethodsX-ray diffraction
Resolution1.7469 - 3.4501 Å
Structure data

PDB-4r5g:
Crystal structure of the DnaK C-terminus with the inhibitor PET-16
Method: X-RAY DIFFRACTION / Resolution: 3.4501 Å

PDB-4r5i:
Crystal structure of the DnaK C-terminus with the substrate peptide NRLLLTG
Method: X-RAY DIFFRACTION / Resolution: 1.9702 Å

PDB-4r5j:
Crystal structure of the DnaK C-terminus (Dnak-SBD-A)
Method: X-RAY DIFFRACTION / Resolution: 2.361 Å

PDB-4r5k:
Crystal structure of the DnaK C-terminus (Dnak-SBD-B)
Method: X-RAY DIFFRACTION / Resolution: 1.7469 Å

PDB-4r5l:
Crystal structure of the DnaK C-terminus (Dnak-SBD-C)
Method: X-RAY DIFFRACTION / Resolution: 2.9701 Å

Chemicals

ChemComp-3JE:
triphenyl(phenylethynyl)phosphonium

ChemComp-HOH:
WATER

ChemComp-SO4:
SULFATE ION

ChemComp-PO4:
PHOSPHATE ION

ChemComp-CA:
Unknown entry

Source
  • escherichia coli (E. coli)
  • synthetic (others)
KeywordsChaperone/Chaperone inhibitor / Helical bundle / beta sheets / Chaperone / HSP70/DnaK inhibitors / membrane / Chaperone-Chaperone inhibitor complex / Substrate Binding

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