› 6ypj

X-ray diffraction
1.64Å resolution

Crystal Structure of CK2alpha with Compound 1 bound

Released:
DOI: 10.2210/pdb6ypj/pdb
PDB entry 6ypj coloured by chain, front view.
PDB entry 6ypj coloured by chain, side view.
PDB entry 6ypj 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-159383 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Casein kinase II subunit alpha Chain: A
Molecule details ›
Chain: A
Length: 328 amino acids
Theoretical weight: 39.03 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

Ligands and Environments

2 bound ligands:
Ligand ACT 1 x ACT
Ligand P5W 1 x P5W
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I04-1
Spacegroup: P21
Unit cell:
a: 58.125Å b: 46.02Å c: 63.707Å
α: 90° β: 111.13° γ: 90°
R-values:
R R work R free
0.197 0.195 0.232
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

1 review citation

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

1 mention without citation

Proposed Allosteric Inhibitors Bind to the ATP Site of CK2α.
Brear et al. (2020)