› 2c5v

X-ray diffraction
2.9Å resolution

Differential Binding Of Inhibitors To Active And Inactive Cdk2 Provides Insights For Drug Design

Released:
DOI: 10.2210/pdb2c5v/pdb
PDB entry 2c5v coloured by chain, front view.
PDB entry 2c5v coloured by chain, side view.
PDB entry 2c5v coloured by chain, top view.
Source organisms:
Primary publication:
Differential binding of inhibitors to active and inactive CDK2 provides insights for drug design.
Kontopidis G, McInnes C, Pandalaneni SR, McNae I, Gibson D, Mezna M, Thomas M, Wood G, Wang S, Walkinshaw MD, Fischer PM
Chem Biol 13 201-11 (2006)
PMID: 16492568

Function and Biology Details

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

Structure analysis Details

Assembly composition:
hetero trimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-539422 (preferred)
Entry contents:
3 distinct polypeptide molecules
Macromolecules (3 distinct):
Cyclin-dependent kinase 2 Chains: A, C
Molecule details ›
Chains: A, C
Length: 298 amino acids
Theoretical weight: 33.98 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:
Cyclin-A2 Chains: B, D
Molecule details ›
Chains: B, D
Length: 259 amino acids
Theoretical weight: 29.75 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P20248 (Residues: 174-432; Coverage: 60%)
Gene names: CCN1, CCNA, CCNA2
Sequence domains:
Structure domains: Cyclin-like
ALA-ALA-ABA-ARG-SER-LEU-ILE-PFF-NH2 Chains: F, H
Molecule details ›
Chains: F, H
Length: 9 amino acids
Theoretical weight: 879 Da
Source organism: synthetic construct
Expression system: Not provided

Ligands and Environments

1 bound ligand:
Ligand CK4 2 x CK4
2 modified residues:
Ligand ABA 2 x ABA
Ligand PFF 2 x PFF

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID14-2
Spacegroup: P212121
Unit cell:
a: 74.501Å b: 114.549Å c: 156.994Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.175 0.171 0.282
Expression systems:
  • Spodoptera frugiperda
  • Escherichia coli
  • Not provided

Quick links

Citations

1 review citation

Ligand discovery and virtual screening using the program LIDAEUS.
Taylor et al. (2008)
23 other articles