› 3pe1

X-ray diffraction
1.6Å resolution

Crystal structure of human protein kinase CK2 alpha subunit in complex with the inhibitor CX-4945

Released:
DOI: 10.2210/pdb3pe1/pdb
PDB entry 3pe1 coloured by chain, front view.
PDB entry 3pe1 coloured by chain, side view.
PDB entry 3pe1 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Unprecedented selectivity and structural determinants of a new class of protein kinase CK2 inhibitors in clinical trials for the treatment of cancer.
Battistutta R, Cozza G, Pierre F, Papinutto E, Lolli G, Sarno S, O'Brien SE, Siddiqui-Jain A, Haddach M, Anderes K, Ryckman DM, Meggio F, Pinna LA
Biochemistry 50 8478-88 (2011)
PMID: 21870818

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 Chain: A
Molecule details ›
Chain: A
Length: 337 amino acids
Theoretical weight: 40.24 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P68400 (Residues: 1-337; Coverage: 86%)
Gene names: CK2A1, CSNK2A1
Sequence domains: Protein kinase domain
Structure domains:

Ligands and Environments

2 bound ligands:
Ligand 3NG 1 x 3NG
Ligand SO4 3 x SO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ELETTRA BEAMLINE 5.2R
Spacegroup: P21
Unit cell:
a: 58.478Å b: 46.087Å c: 63.493Å
α: 90° β: 111.59° γ: 90°
R-values:
R R work R free
0.162 0.16 0.203
Expression system: Escherichia coli

Quick links

Citations

10 review citations

Protein kinase CK2: a potential therapeutic target for diverse human diseases.
Borgo et al. (2021)
9 more

21 mentions without citation

Role of CK2 inhibitor CX-4945 in anti-cancer combination therapy - potential clinical relevance.
D'Amore et al. (2020)
20 more