› 3rps

X-ray diffraction
2.3Å resolution

Structure of human CK2alpha in complex with the ATP-competitive inhibitor 3-(4,5,6,7-tetrabromo-1H-benzotriazol-1-yl)propan-1-ol

Released:
DOI: 10.2210/pdb3rps/pdb
PDB entry 3rps coloured by chain, front view.
PDB entry 3rps coloured by chain, side view.
PDB entry 3rps coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Enzymatic activity with an incomplete catalytic spine: insights from a comparative structural analysis of human CK2α and its paralogous isoform CK2α'.
Bischoff N, Raaf J, Olsen B, Bretner M, Issinger OG, Niefind K
Mol Cell Biochem 356 57-65 (2011)
PMID: 21739153

Function and Biology Details

Reaction catalysed: 
ATP + a protein = ADP + a phosphoprotein
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-159383 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Casein kinase II subunit alpha Chains: A, B
Molecule details ›
Chains: A, B
Length: 335 amino acids
Theoretical weight: 40.07 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P68400 (Residues: 1-335; Coverage: 86%)
Gene names: CK2A1, CSNK2A1
Sequence domains: Protein kinase domain
Structure domains:

Ligands and Environments

3 bound ligands:
Ligand 4B0 1 x 4B0
Ligand SO4 2 x SO4
Ligand CL 4 x CL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: BESSY BEAMLINE 14.1
Spacegroup: P43
Unit cell:
a: 72.01Å b: 72.01Å c: 133.12Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.172 0.17 0.228
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

2 review citations

Chemical proteomics and functional proteomics strategies for protein kinase inhibitor validation and protein kinase substrate identification: applications to protein kinase CK2.
Gyenis et al. (2013)
1 more

3 mentions without citation

The Development of CK2 Inhibitors: From Traditional Pharmacology to in Silico Rational Drug Design.
Cozza G. (2017)
2 more