› 6spx

X-ray diffraction
1.99Å resolution

Structure of protein kinase CK2 catalytic subunit in complex with the CK2beta-competitive bisubstrate inhibitor ARC1502

Released:
DOI: 10.2210/pdb6spx/pdb
PDB entry 6spx coloured by chain, front view.
PDB entry 6spx coloured by chain, side view.
PDB entry 6spx coloured by chain, top view.
Source organisms:
Primary publication:
Unexpected CK2β-antagonistic functionality of bisubstrate inhibitors targeting protein kinase CK2.
Pietsch M, Viht K, Schnitzler A, Ekambaram R, Steinkrüger M, Enkvist E, Nienberg C, Nickelsen A, Lauwers M, Jose J, Uri A, Niefind K
Bioorg Chem 96 103608 (2020)
PMID: 32058103

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:
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-549911 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Casein kinase II subunit alpha Chain: A
Molecule details ›
Chain: A
Length: 335 amino acids
Theoretical weight: 40.07 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
ARC1502 Chain: B
Molecule details ›
Chain: B
Length: 7 amino acids
Theoretical weight: 838 Da
Source organism: synthetic construct
Expression system: Not provided

Ligands and Environments

1 bound ligand:
Ligand 9AB 1 x 9AB
1 modified residue:
Ligand DAS 1 x DAS

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X06DA
Spacegroup: P21
Unit cell:
a: 57.761Å b: 45.717Å c: 63.727Å
α: 90° β: 110.69° γ: 90°
R-values:
R R work R free
0.186 0.184 0.223
Expression systems:
  • Escherichia coli
  • Not provided

Quick links

Citations

2 review citations

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