› 5osp

X-ray diffraction
1.91Å resolution

The crystal structure of CK2alpha in complex with an analogue of compound 1

Released:
DOI: 10.2210/pdb5osp/pdb
PDB entry 5osp coloured by chain, front view.
PDB entry 5osp coloured by chain, side view.
PDB entry 5osp coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Second-generation CK2α inhibitors targeting the αD pocket.
Iegre J, Brear P, De Fusco C, Yoshida M, Mitchell SL, Rossmann M, Carro L, Sore HF, Hyvönen M, Spring DR
OpenAccess logo Chem Sci 9 3041-3049 (2018)
PMID: 29732088

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: 342 amino acids
Theoretical weight: 40.79 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P68400 (Residues: 2-329; Coverage: 84%)
  • Best match: P68400-2 (Residues: 1-193)
Gene names: CK2A1, CSNK2A1
Sequence domains: Protein kinase domain
Structure domains:

Ligands and Environments

3 bound ligands:
Ligand ATP 1 x ATP
Ligand ACT 4 x ACT
Ligand A9W 1 x A9W
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: BRUKER AXS MICROSTAR
Spacegroup: P21
Unit cell:
a: 58.632Å b: 45.989Å c: 62.757Å
α: 90° β: 112.23° γ: 90°
R-values:
R R work R free
0.174 0.172 0.213
Expression system: Escherichia coli BL21(DE3)

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Citations

2 review citations

Targeting Protein Kinases in Blood Cancer: Focusing on CK1α and CK2.
Spinello et al. (2021)
1 more