PDBe 4x7k

X-ray diffraction
1.8Å resolution

Co-crystal Structure of PERK bound to 4-{2-amino-3-[5-fluoro-2-(methylamino)quinazolin-6-yl]-4-methylbenzoyl}-1-methyl-2,5-diphenyl-1,2-dihydro-3H-pyrazol-3-one inhibitor

Released:

Function and Biology Details

Reaction catalysed:
ATP + a protein = ADP + a phosphoprotein
Biochemical function:
Biological process:
Cellular component:
  • not assigned

Structure analysis Details

Assembly composition:
monomeric (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Eukaryotic translation initiation factor 2-alpha kinase 3 Chain: A
Molecule details ›
Chain: A
Length: 317 amino acids
Theoretical weight: 36.82 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: Q9NZJ5 (Residues: 575-1094; Coverage: 29%)
Gene names: EIF2AK3, PEK, PERK

Ligands and Environments

3 bound ligands:

No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 5.0.1
Spacegroup: P41212
Unit cell:
a: 81.757Å b: 81.757Å c: 128.621Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.177 0.176 0.196
Expression system: Escherichia coli