6ypj

X-ray diffraction
1.64Å resolution

Crystal Structure of CK2alpha with Compound 1 bound

Released:
Source organism: Homo sapiens
Primary publication:
Proposed Allosteric Inhibitors Bind to the ATP Site of CK2α.
J Med Chem 63 12786-12798 (2020)
PMID: 33119282

Function and Biology Details

Reaction catalysed:
ATP + a protein = ADP + a phosphoprotein
Biochemical function:
  • not assigned
Biological process:
  • not assigned
Cellular component:
  • not assigned

Structure analysis Details

Assembly composition:
monomeric (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%)
  • Best match: P68400-2 (Residues: 1-193)
Gene names: CK2A1, CSNK2A1
Sequence domains: Protein kinase domain

Ligands and Environments

2 bound ligands:
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)