› 5ooi

X-ray diffraction
2Å resolution

STRUCTURE OF PROTEIN KINASE CK2 CATALYTIC SUBUNIT (ISOFORM CK2ALPHA') IN COMPLEX WITH THE INDENOINDOLE-TYPE INHIBITOR 4P

Released:
DOI: 10.2210/pdb5ooi/pdb
PDB entry 5ooi coloured by chain, front view.
PDB entry 5ooi coloured by chain, side view.
PDB entry 5ooi coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Unexpected Binding Mode of a Potent Indeno[1,2-b]indole-Type Inhibitor of Protein Kinase CK2 Revealed by Complex Structures with the Catalytic Subunit CK2α and Its Paralog CK2α'.
Hochscherf J, Lindenblatt D, Witulski B, Birus R, Aichele D, Marminon C, Bouaziz Z, Le Borgne M, Jose J, Niefind K
Pharmaceuticals (Basel) 10 (2017)
PMID: 29236079

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' Chains: A, B
Molecule details ›
Chains: A, B
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
Structure domains:

Ligands and Environments

4 bound ligands:
Ligand 9YE 2 x 9YE
Ligand EDO 3 x EDO
Ligand NA 1 x NA
Ligand ACT 4 x ACT
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Spacegroup: P212121
Unit cell:
a: 46.488Å b: 112.128Å c: 143.692Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.175 0.174 0.221
Expression system: Escherichia coli

Quick links

Citations

3 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)
2 more

3 mentions without citation

Small molecule induces mitochondrial fusion for neuroprotection via targeting CK2 without affecting its conventional kinase activity.
Zeng et al. (2021)
2 more