PDBe 2x8d

X-ray diffraction
1.9Å resolution

Discovery of a Novel Class of triazolones as Checkpoint Kinase Inhibitors - Hit to Lead Exploration


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
Serine/threonine-protein kinase Chk1 Chain: A
Molecule details ›
Chain: A
Length: 289 amino acids
Theoretical weight: 33.04 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
  • Canonical: O14757 (Residues: 1-289; Coverage: 61%)
Gene names: CHEK1, CHK1
Sequence domains: Protein kinase domain
Structure domains:

Ligands and Environments

2 bound ligands:

No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SRS BEAMLINE PX9.6
Spacegroup: P21
Unit cell:
a: 45Å b: 66.236Å c: 58.473Å
α: 90° β: 94.59° γ: 90°
R R work R free
0.162 0.16 0.192
Expression system: Spodoptera frugiperda