› 1zoe

X-ray diffraction
1.77Å resolution

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

Released:
DOI: 10.2210/pdb1zoe/pdb
PDB entry 1zoe coloured by chain, front view.
PDB entry 1zoe coloured by chain, side view.
PDB entry 1zoe 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

3 bound ligands:
Ligand CL 1 x CL
Ligand K25 1 x K25
Ligand DMS 1 x DMS
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ELETTRA BEAMLINE 5.2R
Spacegroup: C2
Unit cell:
a: 143.454Å b: 60.781Å c: 45.938Å
α: 90° β: 103.44° γ: 90°
R-values:
R R work R free
0.213 0.211 0.277
Expression system: Escherichia coli

Quick links

Citations

8 review citations

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

3 mentions without citation

The expanding diversity of serine hydrolases.
Botos et al. (2007)
2 more