› 4egk

X-ray diffraction
1.69Å resolution

Human Hsp90-alpha ATPase domain bound to Radicicol

Released:
DOI: 10.2210/pdb4egk/pdb
PDB entry 4egk coloured by chain, front view.
PDB entry 4egk coloured by chain, side view.
PDB entry 4egk coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Fragment screening using capillary electrophoresis (CEfrag) for hit identification of heat shock protein 90 ATPase inhibitors.
Austin C, Pettit SN, Magnolo SK, Sanvoisin J, Chen W, Wood SP, Freeman LD, Pengelly RJ, Hughes DE
J Biomol Screen 17 868-76 (2012)
PMID: 22573733

Function and Biology Details

Reaction catalysed: 
ATP + H(2)O = ADP + phosphate
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

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 Chain: A
Molecule details ›
Chain: A
Length: 232 amino acids
Theoretical weight: 26.07 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P07900 (Residues: 9-236; Coverage: 31%)
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 RDC 1 x RDC
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: OTHER
Spacegroup: P21
Unit cell:
a: 52.44Å b: 43.88Å c: 53.64Å
α: 90° β: 113.81° γ: 90°
R-values:
R R work R free
0.203 0.201 0.243
Expression system: Escherichia coli

Quick links

Citations

7 review citations

Theory and applications of differential scanning fluorimetry in early-stage drug discovery.
Gao et al. (2020)
6 more

13 mentions without citation

Dynamically Shaping Chaperones. Allosteric Modulators of HSP90 Family as Regulatory Tools of Cell Metabolism in Neoplastic Progression.
Sanchez-Martin et al. (2020)
12 more