› 2c5y

X-ray diffraction
2.25Å resolution

DIFFERENTIAL BINDING OF INHIBITORS TO ACTIVE AND INACTIVE CDK2 PROVIDES INSIGHTS FOR DRUG DESIGN

Released:
DOI: 10.2210/pdb2c5y/pdb
PDB entry 2c5y coloured by chain, front view.
PDB entry 2c5y coloured by chain, side view.
PDB entry 2c5y 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 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: 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:

Ligands and Environments

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

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU FR-D
Spacegroup: P212121
Unit cell:
a: 53.274Å b: 70.893Å c: 71.745Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.172 0.168 0.295
Expression system: Spodoptera frugiperda

Quick links

Citations

1 review citation

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

2 mentions without citation

PDB-Explorer: a web-based interactive map of the protein data bank in shape space.
Jin et al. (2015)
1 more