› 5m4f

X-ray diffraction
1.52Å resolution

Complex structure of human protein kinase CK2 catalytic subunit with the inhibitor 4'-carboxy-6,8-chloro-flavonol (FLC21) crystallized under low-salt conditions

Released:
DOI: 10.2210/pdb5m4f/pdb
PDB entry 5m4f coloured by chain, front view.
PDB entry 5m4f coloured by chain, side view.
PDB entry 5m4f coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structural Hypervariability of the Two Human Protein Kinase CK2 Catalytic Subunit Paralogs Revealed by Complex Structures with a Flavonol- and a Thieno[2,3-d]pyrimidine-Based Inhibitor.
Niefind K, Bischoff N, Golub AG, Bdzhola VG, Balanda AO, Prykhod'ko AO, Yarmoluk SM
Pharmaceuticals (Basel) 10 (2017)
PMID: 28085026

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: 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
Structure domains:

Ligands and Environments

3 bound ligands:
Ligand 7FC 1 x 7FC
Ligand GOL 3 x GOL
Ligand CL 2 x CL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: BESSY BEAMLINE 14.1
Spacegroup: P212121
Unit cell:
a: 48.033Å b: 79.569Å c: 82.142Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.163 0.163 0.183
Expression system: Escherichia coli

Quick links

Citations

7 citation in other articles

Conformational dynamics of human protein kinase CK2α and its effect on function and inhibition.
Srivastava et al. (2018)
6 more

1 mention without citation

Structural Hypervariability of the Two Human Protein Kinase CK2 Catalytic Subunit Paralogs Revealed by Complex Structures with a Flavonol- and a Thieno[2,3-d]pyrimidine-Based Inhibitor.
Niefind et al. (2017)