› 2brc

X-ray diffraction
1.6Å resolution

Structure of a Hsp90 Inhibitor bound to the N-terminus of Yeast Hsp90.

Released:
DOI: 10.2210/pdb2brc/pdb
PDB entry 2brc coloured by chain, front view.
PDB entry 2brc coloured by chain, side view.
PDB entry 2brc coloured by chain, top view.
Source organism: Saccharomyces cerevisiae
Primary publication:
The identification, synthesis, protein crystal structure and in vitro biochemical evaluation of a new 3,4-diarylpyrazole class of Hsp90 inhibitors.
Cheung KM, Matthews TP, James K, Rowlands MG, Boxall KJ, Sharp SY, Maloney A, Roe SM, Prodromou C, Pearl LH, Aherne GW, McDonald E, Workman P
Bioorg Med Chem Lett 15 3338-43 (2005)
PMID: 15955698

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:
Structure domain:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-136252 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
ATP-dependent molecular chaperone HSP82 Chain: A
Molecule details ›
Chain: A
Length: 214 amino acids
Theoretical weight: 24.21 KDa
Source organism: Saccharomyces cerevisiae
Expression system: Escherichia coli
UniProt:
  • Canonical: P02829 (Residues: 1-214; Coverage: 30%)
Gene names: HSP82, HSP90, YPL240C
Sequence domains: Histidine kinase-, DNA gyrase B-, and HSP90-like ATPase
Structure domains: Histidine kinase-like ATPase, C-terminal domain

Ligands and Environments

1 bound ligand:
Ligand CT5 1 x CT5
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID14-1
Spacegroup: P4322
Unit cell:
a: 74.001Å b: 74.001Å c: 110.792Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.188 0.187 0.214
Expression system: Escherichia coli

Quick links

Citations

38 review citations

Hsp90 molecular chaperone inhibitors: are we there yet?
Neckers et al. (2012)
37 more

6 mentions without citation

Discovery and development of heat shock protein 90 inhibitors.
Taldone et al. (2009)
5 more