› 1y8y

X-ray diffraction
2Å resolution

Crystal structure of human CDK2 complexed with a pyrazolo[1,5-a]pyrimidine inhibitor

Released:
DOI: 10.2210/pdb1y8y/pdb
PDB entry 1y8y coloured by chain, front view.
PDB entry 1y8y coloured by chain, side view.
PDB entry 1y8y coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structure-guided design of pyrazolo[1,5-a]pyrimidines as inhibitors of human cyclin-dependent kinase 2.
Williamson DS, Parratt MJ, Bower JF, Moore JD, Richardson CM, Dokurno P, Cansfield AD, Francis GL, Hebdon RJ, Howes R, Jackson PS, Lockie AM, Murray JB, Nunns CL, Powles J, Robertson A, Surgenor AE, Torrance CJ
Bioorg Med Chem Lett 15 863-7 (2005)
PMID: 15686876

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 CT7 1 x CT7
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU RUH3R
Spacegroup: P212121
Unit cell:
a: 52.944Å b: 71.756Å c: 71.957Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.194 0.187 0.272
Expression system: Spodoptera frugiperda

Quick links

Citations

3 review citations

The purines: potent and versatile small molecule inhibitors and modulators of key biological targets.
Legraverend et al. (2006)
2 more

1 mention without citation

Structure-based predictions of activity cliffs.
Husby et al. (2015)