› 1r78

X-ray diffraction
2Å resolution

CDK2 complex with a 4-alkynyl oxindole inhibitor

Released:
DOI: 10.2210/pdb1r78/pdb
PDB entry 1r78 coloured by chain, front view.
PDB entry 1r78 coloured by chain, side view.
PDB entry 1r78 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
A new series of potent oxindole inhibitors of CDK2.
Luk KC, Simcox ME, Schutt A, Rowan K, Thompson T, Chen Y, Kammlott U, DePinto W, Dunten P, Dermatakis A
Bioorg Med Chem Lett 14 913-7 (2004)
PMID: 15012993

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 FMD 1 x FMD
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS BEAMLINE X8C
Spacegroup: P212121
Unit cell:
a: 53.88Å b: 71.962Å c: 72.779Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.22 0.218 0.262
Expression system: Spodoptera frugiperda

Quick links

Citations

5 review citations

Recent progress in the discovery and development of cyclin-dependent kinase inhibitors.
Fischer et al. (2005)
4 more

2 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)
1 more