› 5jq5

X-ray diffraction
1.94Å resolution

Crystal structure of CDK2 in complex with inhibitor ICEC0942

Released:
DOI: 10.2210/pdb5jq5/pdb
PDB entry 5jq5 coloured by chain, front view.
PDB entry 5jq5 coloured by chain, side view.
PDB entry 5jq5 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Inhibitor Selectivity for Cyclin-Dependent Kinase 7: A Structural, Thermodynamic, and Modelling Study.
Hazel P, Kroll SH, Bondke A, Barbazanges M, Patel H, Fuchter MJ, Coombes RC, Ali S, Barrett AG, Freemont PS
ChemMedChem 12 372-380 (2017)
PMID: 28125165

Function and Biology Details

Reaction catalysed: 
ATP + a protein = ADP + a phosphoprotein
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-150313 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Cyclin-dependent kinase 2 Chain: A
Molecule details ›
Chain: A
Length: 298 amino acids
Theoretical weight: 33.98 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P24941 (Residues: 1-298; Coverage: 100%)
Gene names: CDK2, CDKN2
Sequence domains: Protein kinase domain
Structure domains:

Ligands and Environments

2 bound ligands:
Ligand ACT 1 x ACT
Ligand I74 1 x I74
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU MICROMAX-007 HF
Spacegroup: P212121
Unit cell:
a: 53.65Å b: 70.77Å c: 72.27Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.184 0.181 0.241
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

3 review citations

CDK inhibitors in cancer therapy, an overview of recent development.
Zhang et al. (2021)
2 more

1 mention without citation

Identification of CDK7 Inhibitors from Natural Sources Using Pharmacoinformatics and Molecular Dynamics Simulations.
Kumar et al. (2021)