› 7atv

X-ray diffraction
0.98Å resolution

Structure of protein kinase ck2 catalytic subunit (csnk2a2 gene product) in complex with the bivalent inhibitor KN2

Released:
DOI: 10.2210/pdb7atv/pdb
PDB entry 7atv coloured by chain, front view.
PDB entry 7atv coloured by chain, side view.
PDB entry 7atv coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Molecular Plasticity of Crystalline CK2α' Leads to KN2, a Bivalent Inhibitor of Protein Kinase CK2 with Extraordinary Selectivity.
Lindenblatt D, Applegate V, Nickelsen A, Klußmann M, Neundorf I, Götz C, Jose J, Niefind K
J Med Chem 65 1302-1312 (2022)
PMID: 34323071

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

3 bound ligands:
Ligand EDO 1 x EDO
Ligand RXE 1 x RXE
Ligand CL 1 x CL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: BESSY BEAMLINE 14.2
Spacegroup: P1
Unit cell:
a: 46.783Å b: 47.56Å c: 50.998Å
α: 66.804° β: 88.959° γ: 88.745°
R-values:
R R work R free
0.127 0.127 0.141
Expression system: Escherichia coli

Quick links

Citations

3 review citations

CK2 Regulation: Perspectives in 2021.
Roffey et al. (2021)
2 more