› 7at5

X-ray diffraction
1.77Å resolution

Structure of protein kinase ck2 catalytic subunit (csnk2a1 gene product) in complex with the bivalent inhibitor KN2

Released:
DOI: 10.2210/pdb7at5/pdb
PDB entry 7at5 coloured by chain, front view.
PDB entry 7at5 coloured by chain, side view.
PDB entry 7at5 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:
  • 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: 349 amino acids
Theoretical weight: 41.69 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

4 bound ligands:
Ligand SO4 4 x SO4
Ligand RXE 2 x RXE
Ligand 42J 2 x 42J
Ligand EDO 3 x EDO
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Spacegroup: P43212
Unit cell:
a: 127.591Å b: 127.591Å c: 124.52Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.174 0.174 0.195
Expression system: Escherichia coli

Quick links

Citations

2 review citations

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