› 2wtj

X-ray diffraction
2.1Å resolution

CRYSTAL STRUCTURE OF CHK2 IN COMPLEX WITH AN INHIBITOR

Released:
DOI: 10.2210/pdb2wtj/pdb
PDB entry 2wtj coloured by chain, front view.
PDB entry 2wtj coloured by chain, side view.
PDB entry 2wtj coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Identification and characterisation of 2-aminopyridine inhibitors of checkpoint kinase 2.
Hilton S, Naud S, Caldwell JJ, Boxall K, Burns S, Anderson VE, Antoni L, Allen CE, Pearl LH, Oliver AW, Wynne Aherne G, Garrett MD, Collins I
Bioorg Med Chem 18 707-18 (2010)
PMID: 20022510

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-132131 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Serine/threonine-protein kinase Chk2 Chain: A
Molecule details ›
Chain: A
Length: 329 amino acids
Theoretical weight: 37.11 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: O96017 (Residues: 209-531; Coverage: 60%)
Gene names: CDS1, CHEK2, CHK2, RAD53
Sequence domains: Protein kinase domain
Structure domains:

Ligands and Environments

3 bound ligands:
Ligand WTJ 1 x WTJ
Ligand NO3 2 x NO3
Ligand EDO 4 x EDO
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID14-2
Spacegroup: P3221
Unit cell:
a: 90.99Å b: 90.99Å c: 93.335Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.189 0.187 0.217
Expression system: Escherichia coli

Quick links

Citations

3 review citations

ATM, ATR, CHK1, CHK2 and WEE1 inhibitors in cancer and cancer stem cells.
Ronco et al. (2017)
2 more

6 mentions without citation

Structure-based design, discovery and development of checkpoint kinase inhibitors as potential anticancer therapies.
Matthews et al. (2013)
5 more