› 6yph

X-ray diffraction
1.67Å resolution

Crystal Structure of CK2alpha with Compound 2 bound

Released:
DOI: 10.2210/pdb6yph/pdb
PDB entry 6yph coloured by chain, front view.
PDB entry 6yph coloured by chain, side view.
PDB entry 6yph 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 Chains: A, B
Molecule details ›
Chains: A, B
Length: 342 amino acids
Theoretical weight: 40.44 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P68400 (Residues: 2-329; Coverage: 84%)
Gene names: CK2A1, CSNK2A1
Sequence domains: Protein kinase domain

Ligands and Environments

1 bound ligand:
Ligand N5Q 2 x N5Q
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I04
Spacegroup: C2221
Unit cell:
a: 64.493Å b: 68.95Å c: 331.567Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.256 0.255 0.275
Expression system: Escherichia coli

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)