› 3py1

X-ray diffraction
2.05Å resolution

CDK2 ternary complex with SU9516 and ANS

Released:
DOI: 10.2210/pdb3py1/pdb
PDB entry 3py1 coloured by chain, front view.
PDB entry 3py1 coloured by chain, side view.
PDB entry 3py1 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Discovery of a potential allosteric ligand binding site in CDK2.
Betzi S, Alam R, Martin M, Lubbers DJ, Han H, Jakkaraj SR, Georg GI, Schönbrunn E
ACS Chem Biol 6 492-501 (2011)
PMID: 21291269

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: 306 amino acids
Theoretical weight: 34.76 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

3 bound ligands:
Ligand EDO 1 x EDO
Ligand SU9 1 x SU9
Ligand 2AN 2 x 2AN
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU MICROMAX-007 HF
Spacegroup: P212121
Unit cell:
a: 53.35Å b: 70.19Å c: 71.48Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.199 0.199 0.251
Expression system: Escherichia coli

Quick links

Citations

19 review citations

Drugs for allosteric sites on receptors.
Wenthur et al. (2014)
18 more

10 mentions without citation

Review of rationale and progress toward targeting cyclin-dependent kinase 2 (CDK2) for male contraception†.
Faber et al. (2020)
9 more