› 5b0x

X-ray diffraction
2.3Å resolution

Crystal structure of the CK2a/benzoic acid derivative complex

Released:
DOI: 10.2210/pdb5b0x/pdb
PDB entry 5b0x coloured by chain, front view.
PDB entry 5b0x coloured by chain, side view.
PDB entry 5b0x coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structure-activity relationship study of 4-(thiazol-5-yl)benzoic acid derivatives as potent protein kinase CK2 inhibitors.
Ohno H, Minamiguchi D, Nakamura S, Shu K, Okazaki S, Honda M, Misu R, Moriwaki H, Nakanishi S, Oishi S, Kinoshita T, Nakanishi I, Fujii N
Bioorg Med Chem 24 1136-41 (2016)
PMID: 26850376

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: 340 amino acids
Theoretical weight: 40.48 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P68400 (Residues: 1-335; Coverage: 86%)
Gene names: CK2A1, CSNK2A1
Sequence domains: Protein kinase domain
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand HCK 1 x HCK
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SPRING-8 BEAMLINE BL44XU
Spacegroup: P212121
Unit cell:
a: 48.12Å b: 79.858Å c: 83.171Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.218 0.218 0.234
Expression system: Escherichia coli

Quick links

Citations

1 review citation

The pyridazine heterocycle in molecular recognition and drug discovery.
Meanwell NA. (2023)
5 other articles

1 mention without citation

Design, Synthesis and Structure-Activity Relationship Studies of Protein Kinase CK2 Inhibitors Containing a Purine Scaffold.
Nishiwaki et al. (2023)