› 5h22

X-ray diffraction
1.5Å resolution

Hsp90 alpha N-terminal domain in complex with an inhibitor

Released:
DOI: 10.2210/pdb5h22/pdb
PDB entry 5h22 coloured by chain, front view.
PDB entry 5h22 coloured by chain, side view.
PDB entry 5h22 coloured by chain, top view.
Source organism: Mus musculus
Primary publication:
Synthesis and in vitro antiproliferative activity of C5-benzyl substituted 2-amino-pyrrolo[2,3-d]pyrimidines as potent Hsp90 inhibitors.
Lee JH, Shin SC, Seo SH, Seo YH, Jeong N, Kim CW, Kim EE, Keum G
Bioorg Med Chem Lett 27 237-241 (2017)
PMID: 27914802

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-139829 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Heat shock protein HSP 90-alpha Chain: A
Molecule details ›
Chain: A
Length: 215 amino acids
Theoretical weight: 24.11 KDa
Source organism: Mus musculus
Expression system: Escherichia coli-Pichia pastoris shuttle vector pPpARG4
UniProt:
  • Canonical: P07901 (Residues: 10-224; Coverage: 29%)
Gene names: Hsp86, Hsp86-1, Hsp90aa1, 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 7FT 1 x 7FT
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: PAL/PLS BEAMLINE 5C (4A)
Spacegroup: I222
Unit cell:
a: 66.787Å b: 90.581Å c: 98.943Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.195 0.194 0.208
Expression system: Escherichia coli-Pichia pastoris shuttle vector pPpARG4

Quick links

Citations

1 review citation

Recent Advances and Developments of in vitro Evaluation of Heterocyclic Moieties on Cancer Cell Lines.
Tandon et al. (2019)
3 other articles

2 mentions without citation

Discovery of the radio-protecting effect of Ecliptae Herba, its constituents and targeting p53-mediated apoptosis in vitro and in vivo.
Wu et al. (2023)
1 more