› 3mb6

X-ray diffraction
1.75Å resolution

Human CK2 catalytic domain in complex with a difurane derivative inhibitor (CPA)

Released:
DOI: 10.2210/pdb3mb6/pdb
PDB entry 3mb6 coloured by chain, front view.
PDB entry 3mb6 coloured by chain, side view.
PDB entry 3mb6 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
New potent dual inhibitors of CK2 and Pim kinases: discovery and structural insights.
López-Ramos M, Prudent R, Moucadel V, Sautel CF, Barette C, Lafanechère L, Mouawad L, Grierson D, Schmidt F, Florent JC, Filippakopoulos P, Bullock AN, Knapp S, Reiser JB, Cochet C
FASEB J 24 3171-85 (2010)
PMID: 20400536

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 Chain: A
Molecule details ›
Chain: A
Length: 331 amino acids
Theoretical weight: 39.65 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P68400 (Residues: 1-331; Coverage: 85%)
Gene names: CK2A1, CSNK2A1
Sequence domains: Protein kinase domain
Structure domains:

Ligands and Environments

2 bound ligands:
Ligand 01I 1 x 01I
Ligand SO4 1 x SO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID23-2
Spacegroup: P21
Unit cell:
a: 58.776Å b: 45.787Å c: 63.673Å
α: 90° β: 111.65° γ: 90°
R-values:
R R work R free
0.186 0.182 0.229
Expression system: Escherichia coli

Quick links

Citations

6 review citations

PIM1 kinase as a target for cancer therapy.
Merkel et al. (2012)
5 more

3 mentions without citation

The Development of CK2 Inhibitors: From Traditional Pharmacology to in Silico Rational Drug Design.
Cozza G. (2017)
2 more