› 1zog

X-ray diffraction
2.3Å resolution

Crystal structure of protein kinase CK2 in complex with TBB-derivatives

Released:
DOI: 10.2210/pdb1zog/pdb
PDB entry 1zog coloured by chain, front view.
PDB entry 1zog coloured by chain, side view.
PDB entry 1zog coloured by chain, top view.
Source organism: Zea mays
Primary publication:
Inspecting the structure-activity relationship of protein kinase CK2 inhibitors derived from tetrabromo-benzimidazole.
Battistutta R, Mazzorana M, Sarno S, Kazimierczuk Z, Zanotti G, Pinna LA
Chem Biol 12 1211-9 (2005)
PMID: 16298300

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:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-151244 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Casein kinase II subunit alpha Chain: A
Molecule details ›
Chain: A
Length: 332 amino acids
Theoretical weight: 39.29 KDa
Source organism: Zea mays
Expression system: Escherichia coli
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 K37 2 x K37
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ELETTRA BEAMLINE 5.2R
Spacegroup: C2
Unit cell:
a: 141.05Å b: 58.81Å c: 45.75Å
α: 90° β: 103.3° γ: 90°
R-values:
R R work R free
0.239 0.239 0.294
Expression system: Escherichia coli

Quick links

Citations

8 review citations

The Halogen Bond.
Cavallo et al. (2016)
7 more

3 mentions without citation

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