› 8sbt

X-ray diffraction
1.5Å resolution

Structure of human Hsp90-alpha bound to purine inhibitor PU-H36

Released:
DOI: 10.2210/pdb8sbt/pdb
PDB entry 8sbt coloured by chain, front view.
PDB entry 8sbt coloured by chain, side view.
PDB entry 8sbt coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Selective Inhibition of hsp90 Paralogs: Uncovering the Role of Helix 1 in Grp94-Selective Ligand Binding.
Que NLS, Seidler PM, Aw WJ, Chiosis G, Gewirth DT
Proteins (2024)
PMID: 39473058

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)
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: 256 amino acids
Theoretical weight: 28.77 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • 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:
Ligand MG 1 x MG
Ligand ZUY 1 x ZUY
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL9-2
Spacegroup: I222
Unit cell:
a: 66.613Å b: 90.664Å c: 98.476Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.174 0.173 0.196
Expression system: Escherichia coli

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