› 2vw5

X-ray diffraction
1.9Å resolution

Structure Of The Hsp90 Inhibitor 7-O-carbamoylpremacbecin Bound To The N- Terminus Of Yeast Hsp90

Released:
DOI: 10.2210/pdb2vw5/pdb
PDB entry 2vw5 coloured by chain, front view.
PDB entry 2vw5 coloured by chain, side view.
PDB entry 2vw5 coloured by chain, top view.
Source organism: Saccharomyces cerevisiae
Primary publication:
Optimizing natural products by biosynthetic engineering: discovery of nonquinone Hsp90 inhibitors.
Zhang MQ, Gaisser S, Nur-E-Alam M, Sheehan LS, Vousden WA, Gaitatzis N, Peck G, Coates NJ, Moss SJ, Radzom M, Foster TA, Sheridan RM, Gregory MA, Roe SM, Prodromou C, Pearl L, Boyd SM, Wilkinson B, Martin CJ
J Med Chem 51 5494-7 (2008)
PMID: 18800759

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 Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
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

2 bound ligands:
Ligand BC6 4 x BC6
Ligand SO4 9 x SO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID23-1
Spacegroup: C2
Unit cell:
a: 104.193Å b: 104.785Å c: 109.913Å
α: 90° β: 89.98° γ: 90°
R-values:
R R work R free
0.19 0.188 0.226
Expression system: Escherichia coli

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Citations

14 review citations

Metabolic engineering for the production of natural products.
Pickens et al. (2011)
13 more

3 mentions without citation

Superior Performance of the SQM/COSMO Scoring Functions in Native Pose Recognition of Diverse Protein-Ligand Complexes in Cognate Docking.
Ajani et al. (2017)
2 more