› 6tlr

X-ray diffraction
1.64Å resolution

HUMAN CK2 KINASE ALPHA SUBUNIT IN COMPLEX WITH THE ATP-COMPETITIVE INHIBITOR 4,7-DIBROMOBENZOTRIAZOLE

Released:
DOI: 10.2210/pdb6tlr/pdb
PDB entry 6tlr coloured by chain, front view.
PDB entry 6tlr coloured by chain, side view.
PDB entry 6tlr coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Halogen Atoms in the Protein-Ligand System. Structural and Thermodynamic Studies of the Binding of Bromobenzotriazoles by the Catalytic Subunit of Human Protein Kinase CK2.
Czapinska H, Winiewska-Szajewska M, Szymaniec-Rutkowska A, Piasecka A, Bochtler M, Poznański J
J Phys Chem B 125 2491-2503 (2021)
PMID: 33689348

Function and Biology Details

Reaction catalysed: 
ATP + a protein = ADP + a phosphoprotein
Biochemical function:
Biological process:
Cellular component:
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: 399 amino acids
Theoretical weight: 46.28 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P68400 (Residues: 1-391; Coverage: 100%)
Gene names: CK2A1, CSNK2A1
Sequence domains: Protein kinase domain

Ligands and Environments

3 bound ligands:
Ligand NKE 2 x NKE
Ligand NA 1 x NA
Ligand CL 1 x CL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Spacegroup: P42212
Unit cell:
a: 128.326Å b: 128.326Å c: 61.192Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.15 0.149 0.178
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

1 review citation

Heavy Atom Detergent/Lipid Combined X-ray Crystallography for Elucidating the Structure-Function Relationships of Membrane Proteins.
Hanashima et al. (2021)
6 other articles

2 mentions without citation

Halogen Atoms in the Protein-Ligand System. Structural and Thermodynamic Studies of the Binding of Bromobenzotriazoles by the Catalytic Subunit of Human Protein Kinase CK2.
Czapinska et al. (2021)
1 more