› 6baw

X-ray diffraction
2.7Å resolution

Structure of GRP94 with a selective resorcinylic inhibitor.

Released:
DOI: 10.2210/pdb6baw/pdb
PDB 6baw coloured by chain and viewed from the front.
PDB 6baw coloured by chain and viewed from the side.
PDB 6baw coloured by chain and viewed from the top.
Source organism: Canis lupus familiaris
Entry authors: Que NLS, Gewirth DT

Function and Biology Details

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

Structure analysis Details

Assemblies composition:
monomeric (preferred)
homo dimer
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; Coverage: 28%)
Gene names: GRP94, HSP90B1, 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)

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Citations

1 review citation

Inhibitors of the Plasmodium falciparum Hsp90 towards Selective Antimalarial Drug Design: The Past, Present and Future.
Stofberg et al. (2021)
9 other articles