› 2xmy

X-ray diffraction
1.9Å resolution

Discovery and Characterisation of 2-Anilino-4-(thiazol-5-yl) pyrimidine Transcriptional CDK Inhibitors as Anticancer Agents

Released:
DOI: 10.2210/pdb2xmy/pdb
PDB entry 2xmy coloured by chain, front view.
PDB entry 2xmy coloured by chain, side view.
PDB entry 2xmy coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Discovery and characterization of 2-anilino-4- (thiazol-5-yl)pyrimidine transcriptional CDK inhibitors as anticancer agents.
Wang S, Griffiths G, Midgley CA, Barnett AL, Cooper M, Grabarek J, Ingram L, Jackson W, Kontopidis G, McClue SJ, McInnes C, McLachlan J, Meades C, Mezna M, Stuart I, Thomas MP, Zheleva DI, Lane DP, Jackson RC, Glover DM, Blake DG, Fischer PM
Chem Biol 17 1111-21 (2010)
PMID: 21035734

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: 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 CDK 1 x CDK
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU FR-D
Spacegroup: P212121
Unit cell:
a: 53.118Å b: 71.498Å c: 71.642Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.192 0.189 0.271
Expression system: Spodoptera frugiperda

Quick links

Citations

7 review citations

Inhibitors of cyclin-dependent kinases as cancer therapeutics.
Whittaker et al. (2017)
6 more

8 mentions without citation

CASTp 3.0: computed atlas of surface topography of proteins.
Tian et al. (2018)
7 more