› 5mqv

X-ray diffraction
2.15Å resolution

Crystal structure of human Casein Kinase I delta in complex with 4-(2,5-Dimethoxyphenyl)-N-(4-(5-(4-fluorphenyl)-2-(methylthio)-1H-imidazol-4-yl)-pyridin-2-yl)-1-methyl-1H-pyrrole-2-carboxamide

Released:
DOI: 10.2210/pdb5mqv/pdb
PDB entry 5mqv coloured by chain, front view.
PDB entry 5mqv coloured by chain, side view.
PDB entry 5mqv coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Optimized 4,5-Diarylimidazoles as Potent/Selective Inhibitors of Protein Kinase CK1δ and Their Structural Relation to p38α MAPK.
Halekotte J, Witt L, Ianes C, Krüger M, Bührmann M, Rauh D, Pichlo C, Brunstein E, Luxenburger A, Baumann U, Knippschild U, Bischof J, Peifer C
Molecules 22 (2017)
PMID: 28338621

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:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-155796 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Casein kinase I isoform delta Chains: A, B, C, D, E, F
Molecule details ›
Chains: A, B, C, D, E, F
Length: 314 amino acids
Theoretical weight: 36.38 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P48730 (Residues: 1-294; Coverage: 71%)
Gene names: CSNK1D, HCKID
Sequence domains: Protein kinase domain
Structure domains:

Ligands and Environments

2 bound ligands:
Ligand D5Q 6 x D5Q
Ligand PO4 21 x PO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X06DA
Spacegroup: C2
Unit cell:
a: 197.934Å b: 127.276Å c: 154.78Å
α: 90° β: 113.63° γ: 90°
R-values:
R R work R free
0.173 0.173 0.192
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

8 review citations

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

5 mentions without citation

Optimized 4,5-Diarylimidazoles as Potent/Selective Inhibitors of Protein Kinase CK1δ and Their Structural Relation to p38α MAPK.
Halekotte et al. (2017)
4 more