› 4lwf

X-ray diffraction
1.75Å resolution

Crystal Structure of the human Hsp90-alpha N-domain bound to the hsp90 inhibitor FJ3

Released:
DOI: 10.2210/pdb4lwf/pdb
PDB entry 4lwf coloured by chain, front view.
PDB entry 4lwf coloured by chain, side view.
PDB entry 4lwf coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Discovery of potent N-(isoxazol-5-yl)amides as HSP90 inhibitors.
Chen D, Shen A, Li J, Shi F, Chen W, Ren J, Liu H, Xu Y, Wang X, Yang X, Sun Y, Yang M, He J, Wang Y, Zhang L, Huang M, Geng M, Xiong B, Shen J
Eur J Med Chem 87 765-81 (2014)
PMID: 25313505

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-139817 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Heat shock protein HSP 90-alpha Chain: A
Molecule details ›
Chain: A
Length: 208 amino acids
Theoretical weight: 23.26 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P07900 (Residues: 17-224; Coverage: 28%)
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 FJ3 1 x FJ3
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRF BEAMLINE BL17U
Spacegroup: I222
Unit cell:
a: 65.463Å b: 88.709Å c: 99.752Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.188 0.186 0.209
Expression system: Escherichia coli

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Citations

4 review citations

A comprehensive review in improving delivery of small-molecule chemotherapeutic agents overcoming the blood-brain/brain tumor barriers for glioblastoma treatment.
Wang et al. (2019)
3 more