› 3axw

X-ray diffraction
2.5Å resolution

Crystal structure of human CK2alpha complexed with a potent inhibitor

Released:
DOI: 10.2210/pdb3axw/pdb
PDB entry 3axw coloured by chain, front view.
PDB entry 3axw coloured by chain, side view.
PDB entry 3axw coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structure-based design of novel potent protein kinase CK2 (CK2) inhibitors with phenyl-azole scaffolds.
Hou Z, Nakanishi I, Kinoshita T, Takei Y, Yasue M, Misu R, Suzuki Y, Nakamura S, Kure T, Ohno H, Murata K, Kitaura K, Hirasawa A, Tsujimoto G, Oishi S, Fujii N
J Med Chem 55 2899-903 (2012)
PMID: 22339433

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: 340 amino acids
Theoretical weight: 40.48 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
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand TID 1 x TID
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: PHOTON FACTORY BEAMLINE AR-NE3A
Spacegroup: P212121
Unit cell:
a: 48.186Å b: 80.216Å c: 83.329Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.268 0.268 0.295
Expression system: Escherichia coli

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Citations

1 review citation

Synthetic approaches and pharmacological activity of 1,3,4-oxadiazoles: a review of the literature from 2000-2012.
de Oliveira et al. (2012)
18 other articles