› 2pvj

X-ray diffraction
1.7Å resolution

Structure-Based Design of Pyrazolo[1,5-a][1,3,5]triazine Derivatives as Potent Inhibitors of Protein Kinase CK2

Released:
DOI: 10.2210/pdb2pvj/pdb
PDB entry 2pvj coloured by chain, front view.
PDB entry 2pvj coloured by chain, side view.
PDB entry 2pvj coloured by chain, top view.
Source organism: Zea mays
Primary publication:
Structure-based design, synthesis, and study of pyrazolo[1,5-a][1,3,5]triazine derivatives as potent inhibitors of protein kinase CK2.
Nie Z, Perretta C, Erickson P, Margosiak S, Almassy R, Lu J, Averill A, Yager KM, Chu S
Bioorg Med Chem Lett 17 4191-5 (2007)
PMID: 17540560

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-151243 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Casein kinase II subunit alpha Chain: A
Molecule details ›
Chain: A
Length: 352 amino acids
Theoretical weight: 41.45 KDa
Source organism: Zea mays
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P28523 (Residues: 1-332; Coverage: 100%)
Gene name: ACK2
Sequence domains: Protein kinase domain
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand P44 1 x P44
1 modified residue:
Ligand CSO 1 x CSO

Experiments and Validation Details

Entry percentile scores
X-ray source: ENRAF-NONIUS FR591
Spacegroup: C2
Unit cell:
a: 143.409Å b: 60.029Å c: 45.122Å
α: 90° β: 102.727° γ: 90°
R-values:
R R work R free
0.197 0.195 0.218
Expression system: Escherichia coli BL21(DE3)

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Citations

7 review citations

Protein kinase CK2 as a druggable target.
Sarno et al. (2008)
6 more