› 6f26

X-ray diffraction
1.83Å resolution

Crystal structure of human Casein Kinase I delta in complex with compound 31b

Released:
DOI: 10.2210/pdb6f26/pdb
Model geometry
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PDB entry 6f26 coloured by chain, front view.
PDB entry 6f26 coloured by chain, side view.
PDB entry 6f26 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Design, Synthesis and Biological Evaluation of Isoxazole-Based CK1 Inhibitors Modified with Chiral Pyrrolidine Scaffolds.
Luxenburger A, Schmidt D, Ianes C, Pichlo C, Krüger M, von Drathen T, Brunstein E, Gainsford GJ, Baumann U, Knippschild U, Peifer C
OpenAccess logo Molecules 24 (2019)
PMID: 30832206

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
Molecule details ›
Chains: A, B
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 SO4 19 x SO4
Ligand C9Z 2 x C9Z
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: SLS BEAMLINE X06DA
Spacegroup: P21
Unit cell:
a: 56.075Å b: 72.956Å c: 90.015Å
α: 90° β: 90.15° γ: 90°
R-values:
R R work R free
0.19 0.19 0.209
Expression system: Escherichia coli BL21(DE3)

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Citations

2 review citations

Pyrrolidine in Drug Discovery: A Versatile Scaffold for Novel Biologically Active Compounds.
Li Petri et al. (2021)
1 more

2 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)
1 more

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