› 4kba

X-ray diffraction
1.98Å resolution

CK1d in complex with 9-[3-(4-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]-2,3,4,5-tetrahydropyrido[2,3-f][1,4]oxazepine inhibitor

Released:
DOI: 10.2210/pdb4kba/pdb
PDB 4kba coloured by chain and viewed from the front.
PDB 4kba coloured by chain and viewed from the side.
PDB 4kba coloured by chain and viewed from the top.
Source organism: Homo sapiens
Primary publication:
Ligand-protein interactions of selective casein kinase 1�� 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 + [tau protein] = ADP + [tau protein] phosphate
ATP + a protein = ADP + a phosphoprotein
Biochemical function:
  • not assigned
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assemblies composition:
monomeric (preferred)
homo dimer
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Casein kinase I isoform delta Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 331 amino acids
Theoretical weight: 38.54 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P48730 (Residues: 3-317; Coverage: 76%)
Gene names: CSNK1D, HCKID
Sequence domains: Protein kinase domain
Structure domains:

Ligands and Environments

2 bound ligands:
Ligand 1QM 4 x 1QM
Ligand SO4 9 x SO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 17-ID
Spacegroup: P1
Unit cell:
a: 48.689Å b: 83.964Å c: 89.29Å
α: 108° β: 105.71° γ: 93°
R-values:
R R work R free
0.21 0.208 0.237
Expression system: Spodoptera frugiperda

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Citations

6 citation in other articles

Catalytic Synthesis of N-Unprotected Piperazines, Morpholines, and Thiomorpholines from Aldehydes and SnAP Reagents.
Luescher et al. (2015)
5 more

5 mentions without citation

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