› 1di8

X-ray diffraction
2.2Å resolution

THE STRUCTURE OF CYCLIN-DEPENDENT KINASE 2 (CDK2) IN COMPLEX WITH 4-[3-HYDROXYANILINO]-6,7-DIMETHOXYQUINAZOLINE

Released:
DOI: 10.2210/pdb1di8/pdb
PDB entry 1di8 coloured by chain, front view.
PDB entry 1di8 coloured by chain, side view.
PDB entry 1di8 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Binding mode of the 4-anilinoquinazoline class of protein kinase inhibitor: X-ray crystallographic studies of 4-anilinoquinazolines bound to cyclin-dependent kinase 2 and p38 kinase.
Shewchuk L, Hassell A, Wisely B, Rocque W, Holmes W, Veal J, Kuyper LF
J Med Chem 43 133-8 (2000)
PMID: 10633045

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: unidentified baculovirus
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 DTQ 1 x DTQ
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU
Spacegroup: P212121
Unit cell:
a: 72.752Å b: 74.076Å c: 54.005Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.186 0.186 0.226
Expression system: unidentified baculovirus

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

21 mentions without citation

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