› 4uba

X-ray diffraction
3Å resolution

Low-salt structure of protein kinase CK2 catalytic subunit with 4'-carboxy-6,8-bromo-flavonol (FLC26)

Released:
DOI: 10.2210/pdb4uba/pdb
PDB entry 4uba coloured by chain, front view.
PDB entry 4uba coloured by chain, side view.
PDB entry 4uba coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
A Note of Caution on the Role of Halogen Bonds for Protein Kinase/Inhibitor Recognition Suggested by High- And Low-Salt CK2α Complex Structures.
Guerra B, Bischoff N, Bdzhola VG, Yarmoluk SM, Issinger OG, Golub AG, Niefind K
ACS Chem Biol 10 1654-60 (2015)
PMID: 25961323

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: 335 amino acids
Theoretical weight: 40.07 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P68400 (Residues: 1-335; Coverage: 86%)
Gene names: CK2A1, CSNK2A1
Sequence domains: Protein kinase domain
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand 3G5 2 x 3G5
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X06DA
Spacegroup: P43212
Unit cell:
a: 126Å b: 126Å c: 124.14Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.19 0.187 0.239
Expression system: Escherichia coli BL21(DE3)

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Citations

6 citation in other articles

2-Aminothiazole Derivatives as Selective Allosteric Modulators of the Protein Kinase CK2. 1. Identification of an Allosteric Binding Site.
Bestgen et al. (2019)
5 more

3 mentions without citation

Specific inhibition of CK2α from an anchor outside the active site.
Brear et al. (2016)
2 more