› 1aq1

X-ray diffraction
2Å resolution

HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR STAUROSPORINE

Released:
DOI: 10.2210/pdb1aq1/pdb
PDB entry 1aq1 coloured by chain, front view.
PDB entry 1aq1 coloured by chain, side view.
PDB entry 1aq1 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Protein kinase inhibition by staurosporine revealed in details of the molecular interaction with CDK2.
Lawrie AM, Noble ME, Tunnah P, Brown NR, Johnson LN, Endicott JA
Nat Struct Biol 4 796-801 (1997)
PMID: 9334743

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 STU 1 x STU
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ELETTRA BEAMLINE 5.2R
Spacegroup: P212121
Unit cell:
a: 53.5Å b: 70.5Å c: 73.6Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.22 0.22 0.26
Expression system: Spodoptera frugiperda

Quick links

Citations

19 review citations

Pharmacological inhibitors of cyclin-dependent kinases.
Knockaert et al. (2002)
18 more

38 mentions without citation

Ligand discovery and virtual screening using the program LIDAEUS.
Taylor et al. (2008)
37 more