› 2yi6

X-ray diffraction
1.8Å resolution

Structural characterization of 5-Aryl-4-(5-substituted-2-4- dihydroxyphenyl)-1,2,3-thiadiazole Hsp90 inhibitors.

Released:
DOI: 10.2210/pdb2yi6/pdb
PDB entry 2yi6 coloured by chain, front view.
PDB entry 2yi6 coloured by chain, side view.
PDB entry 2yi6 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Co-crystalization and in vitro biological characterization of 5-aryl-4-(5-substituted-2-4-dihydroxyphenyl)-1,2,3-thiadiazole Hsp90 inhibitors.
Sharp SY, Roe SM, Kazlauskas E, Cikotienė I, Workman P, Matulis D, Prodromou C
PLoS One 7 e44642 (2012)
PMID: 22984537

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:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-139824 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Heat shock protein HSP 90-alpha Chain: A
Molecule details ›
Chain: A
Length: 229 amino acids
Theoretical weight: 25.86 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P07900 (Residues: 1-229; Coverage: 31%)
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

2 bound ligands:
Ligand 6QM 1 x 6QM
Ligand MG 1 x MG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I02
Spacegroup: I222
Unit cell:
a: 65.155Å b: 88.83Å c: 99.635Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.19 0.188 0.238
Expression system: Escherichia coli

Quick links

Citations

3 review citations

Hsp90 inhibitor as a sensitizer of cancer cells to different therapies (review).
Solárová et al. (2015)
2 more