X-ray diffraction
1.79Å resolution

Room-temperature Human Hsp90a-NTD bound to BIIB021

Source organism: Homo sapiens
Primary publication:
Water Networks Repopulate Protein-Ligand Interfaces with Temperature.
Angew Chem Int Ed Engl 61 e202112919 (2022)
PMID: 35648650

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Entry contents:
1 distinct polypeptide molecule
Heat shock protein HSP 90-alpha Chain: A
Molecule details ›
Chain: A
Length: 237 amino acids
Theoretical weight: 26.74 KDa
Source organism: Homo sapiens
Expression system: Escherichia
  • Canonical: P07900 (Residues: 1-236; Coverage: 32%)
Gene names: HSP90A, HSP90AA1, HSPC1, HSPCA
Sequence domains: Histidine kinase-, DNA gyrase B-, and HSP90-like ATPase

Ligands and Environments

2 bound ligands:
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 22-ID
Spacegroup: I222
Unit cell:
a: 68.904Å b: 90.772Å c: 99.748Å
α: 90° β: 90° γ: 90°
R R work R free
0.177 0.176 0.196
Expression system: Escherichia