› 3jvs

X-ray diffraction
1.9Å resolution

Characterization of the Chk1 allosteric inhibitor binding site

Released:
DOI: 10.2210/pdb3jvs/pdb
PDB entry 3jvs coloured by chain, front view.
PDB entry 3jvs coloured by chain, side view.
PDB entry 3jvs coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Characterization of the CHK1 allosteric inhibitor binding site.
Vanderpool D, Johnson TO, Ping C, Bergqvist S, Alton G, Phonephaly S, Rui E, Luo C, Deng YL, Grant S, Quenzer T, Margosiak S, Register J, Brown E, Ermolieff J
Biochemistry 48 9823-30 (2009)
PMID: 19743875

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-127093 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Serine/threonine-protein kinase Chk1 Chain: A
Molecule details ›
Chain: A
Length: 271 amino acids
Theoretical weight: 31.25 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: O14757 (Residues: 2-272; Coverage: 57%)
Gene names: CHEK1, CHK1
Sequence domains: Protein kinase domain
Structure domains:

Ligands and Environments

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

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU RUH2R
Spacegroup: P21
Unit cell:
a: 44.754Å b: 65.578Å c: 57.931Å
α: 90° β: 93.73° γ: 90°
R-values:
R R work R free
0.187 0.187 0.215
Expression system: Spodoptera frugiperda

Quick links

Citations

8 review citations

Death by releasing the breaks: CHK1 inhibitors as cancer therapeutics.
Ma et al. (2011)
7 more

8 mentions without citation

Therapeutic Targeting the Allosteric Cysteinome of RAS and Kinase Families.
Li et al. (2022)
7 more