› 5h8g

X-ray diffraction
2Å resolution

Crystal structure of CK2 with compound 7b

Released:
DOI: 10.2210/pdb5h8g/pdb
PDB entry 5h8g coloured by chain, front view.
PDB entry 5h8g coloured by chain, side view.
PDB entry 5h8g coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Potent and Selective CK2 Kinase Inhibitors with Effects on Wnt Pathway Signaling in Vivo.
Dowling JE, Alimzhanov M, Bao L, Chuaqui C, Denz CR, Jenkins E, Larsen NA, Lyne PD, Pontz T, Ye Q, Holdgate GA, Snow L, O'Connell N, Ferguson AD
ACS Med Chem Lett 7 300-5 (2016)
PMID: 26985319

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: 333 amino acids
Theoretical weight: 39.88 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P68400 (Residues: 1-333; Coverage: 85%)
Gene names: CK2A1, CSNK2A1
Sequence domains: Protein kinase domain
Structure domains:

Ligands and Environments

3 bound ligands:
Ligand CL 2 x CL
Ligand EDO 18 x EDO
Ligand 5Y4 1 x 5Y4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU FR-E+ SUPERBRIGHT
Spacegroup: P212121
Unit cell:
a: 47.81Å b: 78.81Å c: 81.88Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.161 0.159 0.198
Expression system: Escherichia coli

Quick links

Citations

5 review citations

Death-associated protein kinase (DAPK) family modulators: Current and future therapeutic outcomes.
Farag et al. (2019)
4 more

1 mention without citation

Potent and Selective CK2 Kinase Inhibitors with Effects on Wnt Pathway Signaling in Vivo.
Dowling et al. (2016)