Crystal structure of CK2 bound by compound 9

Structure

x-ray diffraction · 2 distinct chains.

Ligands and binding sites

• S8W · ~{N}-[2-[(1~{R},2~{R})-2-(aminomethyl)cyclopropyl]-5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]phenyl]ethanamide · ligand · 2 copies · chains A, B
• SO4 · Sulfate ion · ion · 10 copies · chains A, B
• EDO · 1,2-ethanediol · additive · 26 copies · chains A, B

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

Compared structures

• 7AYA · Crystal structure of CK2 bound by compound 9 · the same entry in another collection · chain A against A, TM-score 1.00
• P68400 · AlphaFold monomer V2.0 prediction for casein kinase II subunit alpha (P68400) · a predicted model of the same protein · chain B against A, TM-score 1.00

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 P68400
• Elsewhere: RCSB PDB 7AYA · PDBe 7AYA · UniProt P68400