› 4kbc

X-ray diffraction
1.98Å resolution

CK1d in complex with {4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDIN-2-YL}METHANOL inhibitor

Released:
DOI: 10.2210/pdb4kbc/pdb
PDB entry 4kbc coloured by chain, front view.
PDB entry 4kbc coloured by chain, side view.
PDB entry 4kbc coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Ligand-protein interactions of selective casein kinase 1δ inhibitors.
Mente S, Arnold E, Butler T, Chakrapani S, Chandrasekaran R, Cherry K, DiRico K, Doran A, Fisher K, Galatsis P, Green M, Hayward M, Humphrey J, Knafels J, Li J, Liu S, Marconi M, McDonald S, Ohren J, Paradis V, Sneed B, Walton K, Wager T
J Med Chem 56 6819-28 (2013)
PMID: 23919824

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

Assemblies composition:
monomeric (preferred)
homo dimer
Assembly name:
PDBe Complex ID:
PDB-CPX-155796 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Casein kinase I isoform delta Chains: A, B
Molecule details ›
Chains: A, B
Length: 317 amino acids
Theoretical weight: 37 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P48730 (Residues: 1-317; Coverage: 76%)
Gene names: CSNK1D, HCKID
Sequence domains: Protein kinase domain
Structure domains:

Ligands and Environments

3 bound ligands:
Ligand 1QJ 2 x 1QJ
Ligand SO4 8 x SO4
Ligand EDO 1 x EDO
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 17-ID
Spacegroup: P21
Unit cell:
a: 56.58Å b: 118.14Å c: 61.22Å
α: 90° β: 109.23° γ: 90°
R-values:
R R work R free
0.186 0.185 0.215
Expression system: Spodoptera frugiperda

Quick links

Citations

1 review citation

Clinically Precedented Protein Kinases: Rationale for Their Use in Neurodegenerative Disease.
Benn et al. (2020)
7 other articles

3 mentions without citation

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