› 2e9o

X-ray diffraction
2.1Å resolution

Structure of h-CHK1 complexed with AA582939

Released:
DOI: 10.2210/pdb2e9o/pdb
PDB entry 2e9o coloured by chain, front view.
PDB entry 2e9o coloured by chain, side view.
PDB entry 2e9o coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Discovery of 1,4-dihydroindeno[1,2-c]pyrazoles as a novel class of potent and selective checkpoint kinase 1 inhibitors.
Tong Y, Claiborne A, Stewart KD, Park C, Kovar P, Chen Z, Credo RB, Gu WZ, Gwaltney SL, Judge RA, Zhang H, Rosenberg SH, Sham HL, Sowin TJ, Lin NH
Bioorg Med Chem 15 2759-67 (2007)
PMID: 17287122

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-127093 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Serine/threonine-protein kinase Chk1 Chain: A
Molecule details ›
Chain: A
Length: 269 amino acids
Theoretical weight: 31.07 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: O14757 (Residues: 2-270; Coverage: 57%)
Gene names: CHEK1, CHK1
Sequence domains: Protein kinase domain
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand A58 1 x A58
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 17-BM
Spacegroup: P21
Unit cell:
a: 44.94Å b: 65.711Å c: 57.773Å
α: 90° β: 94.2° γ: 90°
R-values:
R R work R free
0.229 0.212 0.259
Expression system: Escherichia coli

Quick links

Citations

1 review citation

Checkpoint kinase inhibitors: a review of the patent literature.
Janetka et al. (2009)
15 other articles

1 mention without citation

Discovery of novel checkpoint kinase 1 inhibitors by virtual screening based on multiple crystal structures.
Li et al. (2011)