› 6cyi

X-ray diffraction
1.76Å resolution

Grp94 N-domain bound to NEOCA

Released:
DOI: 10.2210/pdb6cyi/pdb
PDB entry 6cyi coloured by chain, front view.
PDB entry 6cyi coloured by chain, side view.
PDB entry 6cyi coloured by chain, top view.
Source organism: Canis lupus familiaris
Primary publication:
NECA derivatives exploit the paralog-specific properties of the site 3 side pocket of Grp94, the endoplasmic reticulum Hsp90.
Huck JD, Que NLS, Immormino RM, Shrestha L, Taldone T, Chiosis G, Gewirth DT
J Biol Chem 294 16010-16019 (2019)
PMID: 31501246

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-154244 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Endoplasmin Chain: A
Molecule details ›
Chain: A
Length: 273 amino acids
Theoretical weight: 31.06 KDa
Source organism: Canis lupus familiaris
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P41148 (Residues: 69-337; Coverage: 34%)
Gene names: GRP94, HSP90B1, HSPC4, TRA1
Sequence domains: Histidine kinase-, DNA gyrase B-, and HSP90-like ATPase

Ligands and Environments

3 bound ligands:
Ligand PGE 2 x PGE
Ligand PG4 1 x PG4
Ligand N5O 1 x N5O
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 23-ID-D
Spacegroup: C2221
Unit cell:
a: 89.055Å b: 100.209Å c: 63.433Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.207 0.204 0.246
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

2 review citations

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

3 mentions without citation

Engineering a Cytochrome P450 for Demethylation of Lignin-Derived Aromatic Aldehydes.
Ellis et al. (2021)
2 more