› 3kxg

X-ray diffraction
1.7Å resolution

Crystal structure of Z. mays CK2 kinase alpha subunit in complex with the inhibitor 3,4,5,6,7-pentabromo-1H-indazole (K64)

Released:
DOI: 10.2210/pdb3kxg/pdb
PDB entry 3kxg coloured by chain, front view.
PDB entry 3kxg coloured by chain, side view.
PDB entry 3kxg 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

1 bound ligand:
Ligand K6X 1 x K6X
1 modified residue:
Ligand CSO 1 x CSO

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID29
Spacegroup: C2
Unit cell:
a: 142.467Å b: 60.37Å c: 45.514Å
α: 90° β: 103.13° γ: 90°
R-values:
R R work R free
0.217 0.214 0.263
Expression system: Escherichia coli

Quick links

Citations

8 review citations

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

1 mention without citation

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