› 3bqc

X-ray diffraction
1.5Å resolution

High pH-value crystal structure of emodin in complex with the catalytic subunit of protein kinase CK2

Released:
DOI: 10.2210/pdb3bqc/pdb
PDB entry 3bqc coloured by chain, front view.
PDB entry 3bqc coloured by chain, side view.
PDB entry 3bqc coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
The catalytic subunit of human protein kinase CK2 structurally deviates from its maize homologue in complex with the nucleotide competitive inhibitor emodin.
Raaf J, Klopffleisch K, Issinger OG, Niefind K
J Mol Biol 377 1-8 (2008)
PMID: 18242640

Function and Biology Details

Reaction catalysed: 
ATP + a protein = ADP + a phosphoprotein
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:
Structure domain:

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 BL21(DE3)
UniProt:
  • Canonical: P68400 (Residues: 1-335; Coverage: 86%)
Gene names: CK2A1, CSNK2A1
Sequence domains: Protein kinase domain
Structure domains:

Ligands and Environments

2 bound ligands:
Ligand CL 2 x CL
Ligand EMO 1 x EMO
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: EMBL/DESY, HAMBURG BEAMLINE BW7B
Spacegroup: P21
Unit cell:
a: 58.87Å b: 45.74Å c: 63.5Å
α: 90° β: 111.78° γ: 90°
R-values:
R R work R free
0.133 0.13 0.197
Expression system: Escherichia coli BL21(DE3)

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Citations

1 review citation

How druggable is protein kinase CK2?
Cozza et al. (2010)
23 other articles

6 mentions without citation

Detection of peptide-binding sites on protein surfaces: the first step toward the modeling and targeting of peptide-mediated interactions.
Lavi et al. (2013)
5 more