› 8c5q

X-ray diffraction
2.5Å resolution

CK2 kinase bound to inhibitor AB668

Released:
DOI: 10.2210/pdb8c5q/pdb
Model geometry
Fit model/data
PDB entry 8c5q coloured by chain, front view.
PDB entry 8c5q coloured by chain, side view.
PDB entry 8c5q coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Cancer selective cell death induction by a bivalent CK2 inhibitor targeting the ATP site and the allosteric αD pocket.
Bancet A, Frem R, Jeanneret F, Mularoni A, Bazelle P, Roelants C, Delcros JG, Guichou JF, Pillet C, Coste I, Renno T, Battail C, Cochet C, Lomberget T, Filhol O, Krimm I
iScience 27 108903 (2024)
PMID: 38318383

Function and Biology Details

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

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: 359 amino acids
Theoretical weight: 42.8 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P68400 (Residues: 1-337; Coverage: 86%)
Gene names: CK2A1, CSNK2A1
Sequence domains: Protein kinase domain

Ligands and Environments

4 bound ligands:
Ligand SO4 12 x SO4
Ligand TL0 2 x TL0
Ligand GOL 4 x GOL
Ligand CL 1 x CL
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: ESRF BEAMLINE ID30B
Spacegroup: P43212
Unit cell:
a: 127.521Å b: 127.521Å c: 125.065Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.216 0.215 0.255
Expression system: Escherichia coli

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