Crystal structure of human CSNK1A1 with A86

Structure

x-ray diffraction · 1 distinct chain · 39% helix, 18% strand (DSSP).

Ligands and binding sites

• TCE · 3,3',3''-phosphanetriyltripropanoic acid · ligand · chains A
• LCI · [4-[[4-[5-(cyclopropylmethyl)-1-methyl-pyrazol-4-yl]-5-fluoranyl-pyrimidin-2-yl]amino]cyclohexyl]azanium · ligand · chains A
• PEG · Di(hydroxyethyl)ether · additive · 6 copies · chains A
• EDO · 1,2-ethanediol · additive · 5 copies · chains A
• PGE · Triethylene glycol · additive · 3 copies · chains A
• DMS · Dimethyl sulfoxide · additive · 2 copies · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.

Compared structures

• 6GZD · Crystal structure of Human CSNK1A1 with A86 · the same entry in another collection · chain A against A, TM-score 1.00
• P48729 · AlphaFold monomer V2.0 prediction for casein kinase I isoform alpha (P48729) · a predicted model of the same protein · chain A against A, TM-score 0.99

Analyse

• Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
• Every structure of UniProt P48729
• Elsewhere: RCSB PDB 6GZD · PDBe 6GZD · UniProt P48729