› 7ur3

X-ray diffraction
1.6Å resolution

Hsp90 alpha inhibitor

Released:
DOI: 10.2210/pdb7ur3/pdb
Model geometry
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PDB entry 7ur3 coloured by chain, front view.
PDB entry 7ur3 coloured by chain, side view.
PDB entry 7ur3 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structure-Activity Relationship Study of Tertiary Alcohol Hsp90α-Selective Inhibitors with Novel Binding Mode.
Mishra SJ, Reynolds TS, Merfeld T, Balch M, Peng S, Deng J, Matts R, Blagg BSJ
ACS Med Chem Lett 13 1870-1878 (2022)
PMID: 36518703

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: 293 amino acids
Theoretical weight: 33.5 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P07900 (Residues: 1-293; Coverage: 40%)
Gene names: HSP90A, HSP90AA1, HSPC1, HSPCA
Sequence domains: Histidine kinase-, DNA gyrase B-, and HSP90-like ATPase

Ligands and Environments

1 bound ligand:
Ligand OJ3 1 x OJ3
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: APS BEAMLINE 19-ID
Spacegroup: C2221
Unit cell:
a: 71.348Å b: 89.499Å c: 88.392Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.175 0.174 0.188
Expression system: Escherichia coli

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Citations

2 citation in other articles

Enniatin A Analogues as Novel Hsp90 Inhibitors that Modulate Triple-Negative Breast Cancer.
Serwetnyk et al. (2023)
1 more

2 mentions without citation

Structure-Activity Relationship Study of Tertiary Alcohol Hsp90α-Selective Inhibitors with Novel Binding Mode.
Mishra et al. (2022)
1 more

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