› 3fl5

X-ray diffraction
2.3Å resolution

Protein kinase CK2 in complex with the inhibitor Quinalizarin

Released:
DOI: 10.2210/pdb3fl5/pdb
PDB entry 3fl5 coloured by chain, front view.
PDB entry 3fl5 coloured by chain, side view.
PDB entry 3fl5 coloured by chain, top view.
Source organism: Zea mays
Primary publication:
Quinalizarin as a potent, selective and cell-permeable inhibitor of protein kinase CK2.
Cozza G, Mazzorana M, Papinutto E, Bain J, Elliott M, di Maira G, Gianoncelli A, Pagano MA, Sarno S, Ruzzene M, Battistutta R, Meggio F, Moro S, Zagotto G, Pinna LA
Biochem J 421 387-95 (2009)
PMID: 19432557

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-151243 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Casein kinase II subunit alpha Chain: A
Molecule details ›
Chain: A
Length: 332 amino acids
Theoretical weight: 39.31 KDa
Source organism: Zea mays
Expression system: Escherichia coli
UniProt:
  • Canonical: P28523 (Residues: 1-332; Coverage: 100%)
Gene name: ACK2
Sequence domains: Protein kinase domain
Structure domains:

Ligands and Environments

2 bound ligands:
Ligand PEG 1 x PEG
Ligand TXQ 1 x TXQ
1 modified residue:
Ligand CSO 1 x CSO

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID14-1
Spacegroup: C2
Unit cell:
a: 142.743Å b: 61.078Å c: 44.797Å
α: 90° β: 103.01° γ: 90°
R-values:
R R work R free
0.186 0.183 0.235
Expression system: Escherichia coli

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Citations

18 review citations

Computational methods in drug discovery.
Sliwoski et al. (2014)
17 more

4 mentions without citation

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