› 5oqu

X-ray diffraction
2.32Å resolution

The crystal structure of CK2alpha in complex with compound 5

Released:
DOI: 10.2210/pdb5oqu/pdb
PDB entry 5oqu coloured by chain, front view.
PDB entry 5oqu coloured by chain, side view.
PDB entry 5oqu coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Second-generation CK2α inhibitors targeting the αD pocket.
Iegre J, Brear P, De Fusco C, Yoshida M, Mitchell SL, Rossmann M, Carro L, Sore HF, Hyvönen M, Spring DR
Chem Sci 9 3041-3049 (2018)
PMID: 29732088

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:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-159392 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Casein kinase II subunit alpha Chains: A, B
Molecule details ›
Chains: A, B
Length: 352 amino acids
Theoretical weight: 41.47 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P68400 (Residues: 2-329; Coverage: 84%)
Gene names: CK2A1, CSNK2A1
Sequence domains: Protein kinase domain
Structure domains:

Ligands and Environments

6 bound ligands:
Ligand ADP 2 x ADP
Ligand ACT 5 x ACT
Ligand A4B 1 x A4B
Ligand MG 2 x MG
Ligand IHP 1 x IHP
Ligand CL 1 x CL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I04
Spacegroup: C2221
Unit cell:
a: 64.668Å b: 67.922Å c: 332.804Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.221 0.22 0.244
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

2 review citations

Targeting Protein Kinases in Blood Cancer: Focusing on CK1α and CK2.
Spinello et al. (2021)
1 more

2 mentions without citation

Second-generation CK2α inhibitors targeting the αD pocket.
Iegre et al. (2018)
1 more