› 2bz5

X-ray diffraction
1.9Å resolution

Structure-based Discovery of a New Class of Hsp90 Inhibitors

Released:
DOI: 10.2210/pdb2bz5/pdb
PDB entry 2bz5 coloured by chain, front view.
PDB entry 2bz5 coloured by chain, side view.
PDB entry 2bz5 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structure-based discovery of a new class of Hsp90 inhibitors.
Barril X, Brough P, Drysdale M, Hubbard RE, Massey A, Surgenor A, Wright L
Bioorg Med Chem Lett 15 5187-91 (2005)
PMID: 16202589

Function and Biology Details

Reaction catalysed: 
ATP + H(2)O = ADP + phosphate
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-139817 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Heat shock protein HSP 90-alpha Chains: A, B
Molecule details ›
Chains: A, B
Length: 235 amino acids
Theoretical weight: 26.47 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P07900 (Residues: 2-236; Coverage: 32%)
Gene names: HSP90A, HSP90AA1, HSPC1, HSPCA
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 AB4 2 x AB4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU
Spacegroup: P21212
Unit cell:
a: 64.46Å b: 88.562Å c: 98.96Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.198 0.195 0.254
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

8 review citations

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

7 mentions without citation

Cancer and virus leads by HTS, chemical design and SEA data mining.
Thepchatri et al. (2009)
6 more