› 1gz8

X-ray diffraction
1.3Å resolution

HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR 2-Amino-6-(3'-methyl-2'-oxo)butoxypurine

Released:
DOI: 10.2210/pdb1gz8/pdb
PDB entry 1gz8 coloured by chain, front view.
PDB entry 1gz8 coloured by chain, side view.
PDB entry 1gz8 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Probing the ATP ribose-binding domain of cyclin-dependent kinases 1 and 2 with O(6)-substituted guanine derivatives.
Gibson AE, Arris CE, Bentley J, Boyle FT, Curtin NJ, Davies TG, Endicott JA, Golding BT, Grant S, Griffin RJ, Jewsbury P, Johnson LN, Mesguiche V, Newell DR, Noble ME, Tucker JA, Whitfield HJ
J Med Chem 45 3381-93 (2002)
PMID: 12139449

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: 299 amino acids
Theoretical weight: 34.03 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 MBP 1 x MBP
1 modified residue:
Ligand CSD 1 x CSD

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID14-3
Spacegroup: P212121
Unit cell:
a: 52.86Å b: 71.07Å c: 71.84Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.153 0.151 0.185
Expression system: Spodoptera frugiperda

Quick links

Citations

5 review citations

The cell cycle: a review of regulation, deregulation and therapeutic targets in cancer.
Vermeulen et al. (2003)
4 more

6 mentions without citation

In Silico Identification and In Vitro and In Vivo Validation of Anti-Psychotic Drug Fluspirilene as a Potential CDK2 Inhibitor and a Candidate Anti-Cancer Drug.
Shi et al. (2015)
5 more