› 3at4

X-ray diffraction
2.2Å resolution

Crystal structure of CK2alpha with pyradine derivertive

Released:
DOI: 10.2210/pdb3at4/pdb
PDB entry 3at4 coloured by chain, front view.
PDB entry 3at4 coloured by chain, side view.
PDB entry 3at4 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
A detailed thermodynamic profile of cyclopentyl and isopropyl derivatives binding to CK2 kinase.
Kinoshita T, Sekiguchi Y, Fukada H, Nakaniwa T, Tada T, Nakamura S, Kitaura K, Ohno H, Suzuki Y, Hirasawa A, Nakanishi I, Tsujimoto G
Mol Cell Biochem 356 97-105 (2011)
PMID: 21735094

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: 340 amino acids
Theoretical weight: 40.48 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

1 bound ligand:
Ligand CCK 1 x CCK
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: PHOTON FACTORY BEAMLINE BL-17A
Spacegroup: P212121
Unit cell:
a: 51.264Å b: 77.305Å c: 79.226Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.242 0.242 0.251
Expression system: Escherichia coli

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Citations

11 citation in other articles

ITC-derived binding affinity may be biased due to titrant (nano)-aggregation. Binding of halogenated benzotriazoles to the catalytic domain of human protein kinase CK2.
Winiewska et al. (2017)
10 more