› 2ds1

X-ray diffraction
2Å resolution

Human cyclin dependent kinase 2 complexed with the CDK4 inhibitor

Released:
DOI: 10.2210/pdb2ds1/pdb
PDB entry 2ds1 coloured by chain, front view.
PDB entry 2ds1 coloured by chain, side view.
PDB entry 2ds1 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structure-based drug design of a highly potent CDK1,2,4,6 inhibitor with novel macrocyclic quinoxalin-2-one structure.
Kawanishi N, Sugimoto T, Shibata J, Nakamura K, Masutani K, Ikuta M, Hirai H
Bioorg Med Chem Lett 16 5122-6 (2006)
PMID: 16876403

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: 33.93 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 1CD 1 x 1CD
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: PHOTON FACTORY BEAMLINE BL-6B
Spacegroup: P212121
Unit cell:
a: 72.05Å b: 71.22Å c: 53.58Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.225 0.225 0.29
Expression system: Spodoptera frugiperda

Quick links

Citations

5 review citations

The exploration of macrocycles for drug discovery--an underexploited structural class.
Driggers et al. (2008)
4 more

19 mentions without citation

Understanding how combinations of HLA and KIR genes influence disease.
Rajagopalan et al. (2005)
18 more