› 2xk9

X-ray diffraction
2.35Å resolution

Structural analysis of checkpoint kinase 2 (Chk2) in complex with inhibitor PV1533

Released:
DOI: 10.2210/pdb2xk9/pdb
PDB entry 2xk9 coloured by chain, front view.
PDB entry 2xk9 coloured by chain, side view.
PDB entry 2xk9 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structural characterization of inhibitor complexes with checkpoint kinase 2 (Chk2), a drug target for cancer therapy.
Lountos GT, Jobson AG, Tropea JE, Self CR, Zhang G, Pommier Y, Shoemaker RH, Waugh DS
J Struct Biol 176 292-301 (2011)
PMID: 21963792

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:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-132134 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Serine/threonine-protein kinase Chk2 Chain: A
Molecule details ›
Chain: A
Length: 322 amino acids
Theoretical weight: 36.43 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: O96017 (Residues: 210-531; Coverage: 59%)
Gene names: CDS1, CHEK2, CHK2, RAD53
Sequence domains: Protein kinase domain
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand XK9 1 x XK9
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 22-ID
Spacegroup: P3221
Unit cell:
a: 90.985Å b: 90.985Å c: 93.42Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.2 0.197 0.249
Expression system: Escherichia coli BL21(DE3)

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Citations

4 review citations

Regulatory mechanisms and clinical perspectives of miRNA in tumor radiosensitivity.
Zhao et al. (2012)
3 more

1 mention without citation

Structural characterization of inhibitor complexes with checkpoint kinase 2 (Chk2), a drug target for cancer therapy.
Lountos et al. (2011)