› 7a1b

X-ray diffraction
1.29Å resolution

Crystal structure of human protein kinase CK2alpha' (CSNK2A2 gene product) in complex with the ATP-competitive inhibitor 5,6-dibromo-1H-triazolo[4,5-b]pyridine

Released:
DOI: 10.2210/pdb7a1b/pdb
PDB entry 7a1b coloured by chain, front view.
PDB entry 7a1b coloured by chain, side view.
PDB entry 7a1b 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:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-148708 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Casein kinase II subunit alpha' Chain: A
Molecule details ›
Chain: A
Length: 364 amino acids
Theoretical weight: 42.88 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P19784 (Residues: 1-350; Coverage: 100%)
Gene names: CK2A2, CSNK2A2
Sequence domains: Protein kinase domain

Ligands and Environments

4 bound ligands:
Ligand QXW 1 x QXW
Ligand EDO 6 x EDO
Ligand CL 2 x CL
Ligand NA 1 x NA
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID23-2
Spacegroup: P1
Unit cell:
a: 46.256Å b: 47.593Å c: 50.55Å
α: 113.229° β: 89.996° γ: 91.127°
R-values:
R R work R free
0.158 0.157 0.192
Expression system: Escherichia coli

Quick links

Citations

2 citation in other articles

Exploring the potential of approved drugs for triple-negative breast cancer treatment by targeting casein kinase 2: Insights from computational studies.
Shoaib et al. (2023)
1 more