› 1yc3

X-ray diffraction
2.12Å resolution

Crystal Structure of human HSP90alpha complexed with dihydroxyphenylpyrazoles

Released:
DOI: 10.2210/pdb1yc3/pdb
PDB entry 1yc3 coloured by chain, front view.
PDB entry 1yc3 coloured by chain, side view.
PDB entry 1yc3 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Crystal structures of human HSP90alpha-complexed with dihydroxyphenylpyrazoles.
Kreusch A, Han S, Brinker A, Zhou V, Choi HS, He Y, Lesley SA, Caldwell J, Gu XJ
Bioorg Med Chem Lett 15 1475-8 (2005)
PMID: 15713410

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 Chain: A
Molecule details ›
Chain: A
Length: 264 amino acids
Theoretical weight: 29.81 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21
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 4BC 1 x 4BC
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU
Spacegroup: P21
Unit cell:
a: 52.775Å b: 44.829Å c: 53.157Å
α: 90° β: 114.62° γ: 90°
R-values:
R R work R free
0.184 0.184 0.259
Expression system: Escherichia coli BL21

Quick links

Citations

11 review citations

Heat shock proteins as emerging therapeutic targets.
Sõti et al. (2005)
10 more

2 mentions without citation

Scoring functions and enrichment: a case study on Hsp90.
Konstantinou-Kirtay et al. (2007)
1 more