› 5otd

X-ray diffraction
1.57Å resolution

The crystal structure of CK2alpha in complex with compound 25

Released:
DOI: 10.2210/pdb5otd/pdb
PDB entry 5otd coloured by chain, front view.
PDB entry 5otd coloured by chain, side view.
PDB entry 5otd 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

4 bound ligands:
Ligand ACT 4 x ACT
Ligand AOW 2 x AOW
Ligand PO4 2 x PO4
Ligand PEG 1 x PEG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I02
Spacegroup: C2221
Unit cell:
a: 65.587Å b: 69.249Å c: 337.496Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.248 0.248 0.261
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

1 mention without citation

Major Achievements in the Design of Quadruplex-Interactive Small Molecules.
Mendes et al. (2022)