› 5h8e

X-ray diffraction
2.15Å resolution

Crystal structure of CK2 with compound 7h

Released:
DOI: 10.2210/pdb5h8e/pdb
PDB entry 5h8e coloured by chain, front view.
PDB entry 5h8e coloured by chain, side view.
PDB entry 5h8e 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 Chains: A, B
Molecule details ›
Chains: A, B
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

4 bound ligands:
Ligand SO4 12 x SO4
Ligand EDO 29 x EDO
Ligand 5Y3 2 x 5Y3
Ligand CL 1 x CL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 17-ID
Spacegroup: P43212
Unit cell:
a: 126.92Å b: 126.92Å c: 124.57Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.166 0.165 0.196
Expression system: Escherichia coli

Quick links

Citations

4 review citations

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

2 mentions without citation

Downfalls of Chemical Probes Acting at the Kinase ATP-Site: CK2 as a Case Study.
Atkinson et al. (2021)
1 more