› 3kxh

X-ray diffraction
1.7Å resolution

Crystal structure of Z. mays CK2 kinase alpha subunit in complex with the inhibitor (2-dymethylammino-4,5,6,7-tetrabromobenzoimidazol-1yl-acetic acid (K66)

Released:
DOI: 10.2210/pdb3kxh/pdb
PDB entry 3kxh coloured by chain, front view.
PDB entry 3kxh coloured by chain, side view.
PDB entry 3kxh coloured by chain, top view.
Source organism: Zea mays
Primary publication:
ATP site-directed inhibitors of protein kinase CK2: an update.
Sarno S, Papinutto E, Franchin C, Bain J, Elliott M, Meggio F, Kazimierczuk Z, Orzeszko A, Zanotti G, Battistutta R, Pinna LA
Curr Top Med Chem 11 1340-51 (2011)
PMID: 21513497

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: 327 amino acids
Theoretical weight: 38.69 KDa
Source organism: Zea mays
Expression system: Escherichia coli
UniProt:
  • Canonical: P28523 (Residues: 2-328; Coverage: 99%)
Gene name: ACK2
Sequence domains: Protein kinase domain
Structure domains:

Ligands and Environments

2 bound ligands:
Ligand K66 1 x K66
Ligand PEG 1 x PEG
1 modified residue:
Ligand CSO 1 x CSO

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID23-2
Spacegroup: C2
Unit cell:
a: 143.838Å b: 60.411Å c: 47.094Å
α: 90° β: 103.93° γ: 90°
R-values:
R R work R free
0.215 0.212 0.266
Expression system: Escherichia coli

Quick links

Citations

8 review citations

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

2 mentions without citation

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