› 2c5x

X-ray diffraction
2.9Å resolution

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

Released:
DOI: 10.2210/pdb2c5x/pdb
PDB entry 2c5x coloured by chain, front view.
PDB entry 2c5x coloured by chain, side view.
PDB entry 2c5x coloured by chain, top view.
Source organism: Homo sapiens
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 dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-148886 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 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

Ligands and Environments

1 bound ligand:
Ligand MTW 2 x MTW
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SRS BEAMLINE PX14.1
Spacegroup: P212121
Unit cell:
a: 74.334Å b: 112.352Å c: 154.911Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.203 0.2 0.264
Expression systems:
  • Spodoptera frugiperda
  • Escherichia coli

Quick links

Citations

1 review citation

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

1 mention without citation

In-silico prediction of drug targets, biological activities, signal pathways and regulating networks of dioscin based on bioinformatics.
Yin et al. (2015)