› 3pj8

X-ray diffraction
1.96Å resolution

Structure of CDK2 in complex with a Pyrazolo[4,3-d]pyrimidine Bioisostere of Roscovitine.

Released:
DOI: 10.2210/pdb3pj8/pdb
PDB entry 3pj8 coloured by chain, front view.
PDB entry 3pj8 coloured by chain, side view.
PDB entry 3pj8 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Pyrazolo[4,3-d]pyrimidine bioisostere of roscovitine: evaluation of a novel selective inhibitor of cyclin-dependent kinases with antiproliferative activity.
Jorda R, Havlícek L, McNae IW, Walkinshaw MD, Voller J, Sturc A, Navrátilová J, Kuzma M, Mistrík M, Bártek J, Strnad M, Krystof V
J Med Chem 54 2980-93 (2011)
PMID: 21417417

Function and Biology Details

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

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: 34.03 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
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 404 1 x 404
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU MICROMAX-007 HF
Spacegroup: P212121
Unit cell:
a: 54.35Å b: 71.89Å c: 72.48Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.206 0.202 0.273
Expression system: Escherichia coli

Quick links

Citations

5 review citations

New roles for cyclin-dependent kinases in T cell biology: linking cell division and differentiation.
Wells et al. (2014)
4 more