› 3ti1

X-ray diffraction
1.99Å resolution

CDK2 in complex with SUNITINIB

Released:
DOI: 10.2210/pdb3ti1/pdb
PDB entry 3ti1 coloured by chain, front view.
PDB entry 3ti1 coloured by chain, side view.
PDB entry 3ti1 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
A novel approach to the discovery of small-molecule ligands of CDK2.
Martin MP, Alam R, Betzi S, Ingles DJ, Zhu JY, Schönbrunn E
Chembiochem 13 2128-36 (2012)
PMID: 22893598

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: 298 amino acids
Theoretical weight: 33.98 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

2 bound ligands:
Ligand B49 1 x B49
Ligand EDO 8 x EDO
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU MICROMAX-007 HF
Spacegroup: P212121
Unit cell:
a: 53.56Å b: 71.94Å c: 72.46Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.205 0.205 0.262
Expression system: Escherichia coli

Quick links

Citations

7 review citations

Cyclin dependent kinase (CDK) inhibitors as anticancer drugs.
Sánchez-Martínez et al. (2015)
6 more

10 mentions without citation

Computational Approaches Drive Developments in Immune-Oncology Therapies for PD-1/PD-L1 Immune Checkpoint Inhibitors.
Sobral et al. (2023)
9 more