2yee

X-ray diffraction
2.3Å resolution

HSP90 inhibitors and drugs from fragment and virtual screening

Released:
Source organism: Homo sapiens

Function and Biology Details

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Heat shock protein HSP 90-alpha Chain: A
Molecule details ›
Chain: A
Length: 252 amino acids
Theoretical weight: 28.55 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
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

2 bound ligands:
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU RUH3R
Spacegroup: I222
Unit cell:
a: 70.282Å b: 88.771Å c: 97.897Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.238 0.234 0.307
Expression system: Escherichia coli BL21(DE3)