› 6baw

X-ray diffraction
2.7Å resolution

Structure of GRP94 with a selective resorcinylic inhibitor.

Released:
DOI: 10.2210/pdb6baw/pdb
PDB entry 6baw coloured by chain, front view.
PDB entry 6baw coloured by chain, side view.
PDB entry 6baw coloured by chain, top view.
Source organism: Canis lupus familiaris
Primary publication:
Structure Based Design of a Grp94-Selective Inhibitor: Exploiting a Key Residue in Grp94 To Optimize Paralog-Selective Binding.
Que NLS, Crowley VM, Duerfeldt AS, Zhao J, Kent CN, Blagg BSJ, Gewirth DT
J Med Chem 61 2793-2805 (2018)
PMID: 29528635

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assemblies composition:
monomeric (preferred)
homo dimer
Assembly name:
PDBe Complex ID:
PDB-CPX-154244 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Endoplasmin Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 236 amino acids
Theoretical weight: 26.51 KDa
Source organism: Canis lupus familiaris
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P41148 (Residues: 69-286, 328-337; Coverage: 29%)
Gene names: GRP94, HSP90B1, HSPC4, TRA1
Sequence domains: Histidine kinase-, DNA gyrase B-, and HSP90-like ATPase
Structure domains: Histidine kinase-like ATPase, C-terminal domain

Ligands and Environments

3 bound ligands:
Ligand D57 4 x D57
Ligand EDO 11 x EDO
Ligand PO4 7 x PO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 23-ID-B
Spacegroup: P212121
Unit cell:
a: 93.647Å b: 93.71Å c: 175.408Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.216 0.214 0.257
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

3 review citations

A Chemical Biology Approach to the Chaperome in Cancer-HSP90 and Beyond.
Taldone et al. (2020)
2 more

2 mentions without citation

Structure Based Design of a Grp94-Selective Inhibitor: Exploiting a Key Residue in Grp94 To Optimize Paralog-Selective Binding.
Que et al. (2018)
1 more