› 6ypn

X-ray diffraction
1.58Å resolution

Crystal Structure of CK2alpha with 2 molecules of ADP bound

Released:
DOI: 10.2210/pdb6ypn/pdb
PDB entry 6ypn coloured by chain, front view.
PDB entry 6ypn coloured by chain, side view.
PDB entry 6ypn coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Proposed Allosteric Inhibitors Bind to the ATP Site of CK2α.
Brear P, Ball D, Stott K, D'Arcy S, Hyvönen M
J Med Chem 63 12786-12798 (2020)
PMID: 33119282

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-549905 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Casein kinase II subunit alpha Chain: B
Molecule details ›
Chain: B
Length: 329 amino acids
Theoretical weight: 39.41 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P68400 (Residues: 1-329; Coverage: 84%)
Gene names: CK2A1, CSNK2A1
Sequence domains: Protein kinase domain

Ligands and Environments

4 bound ligands:
Ligand ADP 2 x ADP
Ligand ACT 1 x ACT
Ligand MG 2 x MG
Ligand PO4 1 x PO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I04-1
Spacegroup: P21
Unit cell:
a: 57.392Å b: 45.225Å c: 62.631Å
α: 90° β: 109.9° γ: 90°
R-values:
R R work R free
0.207 0.205 0.248
Expression system: Escherichia coli BL21(DE3)

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Citations

4 citation in other articles

In silico investigations identified Butyl Xanalterate to competently target CK2α (CSNK2A1) for therapy of chronic lymphocytic leukemia.
Alsagaby et al. (2022)
3 more

3 mentions without citation

Downfalls of Chemical Probes Acting at the Kinase ATP-Site: CK2 as a Case Study.
Atkinson et al. (2021)
2 more