› 4tw9

X-ray diffraction
2.4Å resolution

Difluoro-dioxolo-benzoimidazol-benzamides as potent inhibitors of CK1delta and epsilon with nanomolar inhibitory activity on cancer cell proliferation

Released:
DOI: 10.2210/pdb4tw9/pdb
PDB entry 4tw9 coloured by chain, front view.
PDB entry 4tw9 coloured by chain, side view.
PDB entry 4tw9 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Difluoro-dioxolo-benzoimidazol-benzamides as potent inhibitors of CK1δ and ε with nanomolar inhibitory activity on cancer cell proliferation.
Richter J, Bischof J, Zaja M, Kohlhof H, Othersen O, Vitt D, Alscher V, Pospiech I, García-Reyes B, Berg S, Leban J, Knippschild U
J Med Chem 57 7933-46 (2014)
PMID: 25191940

Function and Biology Details

Reactions catalysed: 
ATP + a protein = ADP + a phosphoprotein
ATP + [tau protein] = ADP + [tau protein] phosphate
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-155798 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Casein kinase I isoform delta Chains: A, B
Molecule details ›
Chains: A, B
Length: 295 amino acids
Theoretical weight: 34.31 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P48730 (Residues: 1-295; Coverage: 71%)
Gene names: CSNK1D, HCKID
Sequence domains: Protein kinase domain
Structure domains:

Ligands and Environments

5 bound ligands:
Ligand SO4 8 x SO4
Ligand HSJ 2 x HSJ
Ligand CL 2 x CL
Ligand NA 4 x NA
Ligand 386 2 x 386
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: BRUKER AXS MICROSTAR
Spacegroup: P21
Unit cell:
a: 52.049Å b: 135.707Å c: 57.183Å
α: 90° β: 99.42° γ: 90°
R-values:
R R work R free
0.21 0.206 0.298
Expression system: Escherichia coli

Quick links

Citations

5 review citations

Structure, regulation, and (patho-)physiological functions of the stress-induced protein kinase CK1 delta (CSNK1D).
Xu et al. (2019)
4 more

4 mentions without citation

A Computational Workflow for the Identification of Novel Fragments Acting as Inhibitors of the Activity of Protein Kinase CK1δ.
Bolcato et al. (2021)
3 more