› 1v1k

X-ray diffraction
2.31Å resolution

CDK2 IN COMPLEX WITH A DISUBSTITUTED 4, 6-BIS ANILINO PYRIMIDINE CDK4 INHIBITOR

Released:
DOI: 10.2210/pdb1v1k/pdb
PDB entry 1v1k coloured by chain, front view.
PDB entry 1v1k coloured by chain, side view.
PDB entry 1v1k coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Cyclin-dependent kinase 4 inhibitors as a treatment for cancer. Part 1: identification and optimisation of substituted 4,6-bis anilino pyrimidines.
Beattie JF, Breault GA, Ellston RP, Green S, Jewsbury PJ, Midgley CJ, Naven RT, Minshull CA, Pauptit RA, Tucker JA, Pease JE
Bioorg Med Chem Lett 13 2955-60 (2003)
PMID: 12941311

Function and Biology Details

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

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: 299 amino acids
Theoretical weight: 34 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P24941 (Residues: 1-298; Coverage: 100%)
Gene names: CDK2, CDKN2
Sequence domains: Protein kinase domain
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand 3FP 1 x 3FP
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SRS BEAMLINE PX9.6
Spacegroup: P212121
Unit cell:
a: 54.342Å b: 72.932Å c: 73.838Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.211 0.208 0.269
Expression system: Spodoptera frugiperda

Quick links

Citations

4 review citations

Selectivity and potency of cyclin-dependent kinase inhibitors.
Sridhar et al. (2006)
3 more

5 mentions without citation

In Silico Identification and In Vitro and In Vivo Validation of Anti-Psychotic Drug Fluspirilene as a Potential CDK2 Inhibitor and a Candidate Anti-Cancer Drug.
Shi et al. (2015)
4 more