› 1h1s

X-ray diffraction
2Å resolution

Structure of human Thr160-phospho CDK2/cyclin A complexed with the inhibitor NU6102

Released:
DOI: 10.2210/pdb1h1s/pdb
PDB entry 1h1s coloured by chain, front view.
PDB entry 1h1s coloured by chain, side view.
PDB entry 1h1s coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structure-based design of a potent purine-based cyclin-dependent kinase inhibitor.
Davies TG, Bentley J, Arris CE, Boyle FT, Curtin NJ, Endicott JA, Gibson AE, Golding BT, Griffin RJ, Hardcastle IR, Jewsbury P, Johnson LN, Mesguiche V, Newell DR, Noble ME, Tucker JA, Wang L, Whitfield HJ
Nat Struct Biol 9 745-9 (2002)
PMID: 12244298

Function and Biology Details

Reaction catalysed: 
ATP + a protein = ADP + a phosphoprotein
Biochemical function:
Biological process:
Cellular component:
Sequence domains:
Structure domains:

Structure analysis Details

Assembly composition:
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-148886 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Cyclin-dependent kinase 2 Chains: A, C
Molecule details ›
Chains: A, C
Length: 303 amino acids
Theoretical weight: 34.47 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:
Cyclin-A2 Chains: B, D
Molecule details ›
Chains: B, D
Length: 258 amino acids
Theoretical weight: 29.62 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P20248 (Residues: 175-432; Coverage: 60%)
Gene names: CCN1, CCNA, CCNA2
Sequence domains:
Structure domains: Cyclin-like

Ligands and Environments

1 bound ligand:
Ligand 4SP 2 x 4SP
1 modified residue:
Ligand TPO 2 x TPO

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID14-4
Spacegroup: P212121
Unit cell:
a: 74.23Å b: 135.35Å c: 148.46Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.236 0.236 0.286
Expression system: Escherichia coli

Quick links

Citations

15 review citations

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

18 mentions without citation

Structure-based discovery of cyclin-dependent protein kinase inhibitors.
Martin et al. (2017)
17 more