› 4g16

X-ray diffraction
2.3Å resolution

Crystal structure of ck1g3 with 2-[(4-{[3-(TRIFLUOROMETHYL)PYRIDIN2-YL]OXY}PHENYL)AMINO]-1H-BENZIMIDAZOLE-6-CARBONITRILE

Released:
DOI: 10.2210/pdb4g16/pdb
PDB entry 4g16 coloured by chain, front view.
PDB entry 4g16 coloured by chain, side view.
PDB entry 4g16 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
2-Phenylamino-6-cyano-1H-benzimidazole-based isoform selective casein kinase 1 gamma (CK1γ) inhibitors.
Hua Z, Huang X, Bregman H, Chakka N, DiMauro EF, Doherty EM, Goldstein J, Gunaydin H, Huang H, Mercede S, Newcomb J, Patel VF, Turci SM, Yan J, Wilson C, Martin MW
Bioorg Med Chem Lett 22 5392-5 (2012)
PMID: 22877629

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-195374 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Casein kinase I isoform gamma-3 Chain: A
Molecule details ›
Chain: A
Length: 330 amino acids
Theoretical weight: 38.47 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: Q9Y6M4 (Residues: 34-362; Coverage: 74%)
Gene name: CSNK1G3
Sequence domains:
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand 0VM 1 x 0VM
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 5.0.2
Spacegroup: P3121
Unit cell:
a: 57.153Å b: 57.153Å c: 223.431Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.237 0.237 0.25
Expression system: Escherichia coli

Quick links

Citations

4 review citations

Comprehensive Review in Current Developments of Benzimidazole-Based Medicinal Chemistry.
Keri et al. (2015)
3 more

1 mention without citation

The CK1 Family: Contribution to Cellular Stress Response and Its Role in Carcinogenesis.
Knippschild et al. (2014)