› 7a4b

X-ray diffraction
2.06Å resolution

Crystal structure of human protein kinase CK2alpha (CSNK2A1 gene product) in complex with the ATP-competitive inhibitor 5,6-dibromo-1H-triazolo[4,5-b]pyridine

Released:
DOI: 10.2210/pdb7a4b/pdb
PDB entry 7a4b coloured by chain, front view.
PDB entry 7a4b coloured by chain, side view.
PDB entry 7a4b coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Synthesis, biological properties and structural study of new halogenated azolo[4,5-b]pyridines as inhibitors of CK2 kinase.
Chojnacki K, Lindenblatt D, Wińska P, Wielechowska M, Toelzer C, Niefind K, Bretner M
Bioorg Chem 106 104502 (2021)
PMID: 33317841

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: 335 amino acids
Theoretical weight: 40.07 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

Ligands and Environments

3 bound ligands:
Ligand GOL 2 x GOL
Ligand QXW 2 x QXW
Ligand SO4 9 x SO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID29
Spacegroup: P43212
Unit cell:
a: 127.329Å b: 127.329Å c: 124.884Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.192 0.191 0.223
Expression system: Escherichia coli

Quick links

Citations

2 citation in other articles

Synthesis of Novel Acyl Derivatives of 3-(4,5,6,7-Tetrabromo-1H-benzimidazol-1-yl)propan-1-ols-Intracellular TBBi-Based CK2 Inhibitors with Proapoptotic Properties.
Chojnacki et al. (2021)
1 more