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Difluoro-dioxolo-benzoimidazol-benzamides as potent inhibitors of CK1delta and epsilon with nanomolar inhibitory activity on cancer cell proliferation

X-ray diffraction
2.4Å resolution
PDB entry 4tw9 coloured by chain, front view.
PDB entry 4tw9 coloured by chain, side view.
PDB entry 4tw9 coloured by chain, top view.
Source organism: Homo sapiens
Assembly composition:
homo dimer (preferred)
Entry contents: 1 distinct polypeptide molecule

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Assemblies

Assembly 1 (preferred)
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Assembly Name: Casein kinase I isoform delta
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Multimeric state: homo dimer
Accessible surface area: 26906.8 Å2
Buried surface area: 3992.79 Å2
Dissociation area: 916.18 Å2
Dissociation energy (ΔGdiss): -1.13 kcal/mol
Dissociation entropy (TΔSdiss): 13.53 kcal/mol
Symmetry number: 2
PDBe Complex ID: PDB-CPX-155798

Macromolecules

Casein kinase I isoform delta
Chains: A, B
Length: 295 amino acids
Theoretical weight: 34.31 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P48730 (Residues: 1-295; Coverage: 71%)
Gene names: CSNK1D, HCKID
Pfam: Protein kinase domain
InterPro:
CATH:
Casein kinase I isoform delta in PDB entry 4tw9, assembly 1, front view.
Casein kinase I isoform delta in PDB entry 4tw9, assembly 1, side view.
Casein kinase I isoform delta in PDB entry 4tw9, assembly 1, top view.
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