Structure of protein kinase CK2 catalytic subunit (CSNK2A2 gene product) in complex with the ATP-competitive inhibitor MB002 and the alphad-pocket ligand 3,4-dichlorophenethylamine

Structure

x-ray diffraction · 1 distinct chain · 41% helix, 16% strand (DSSP).

Ligands and binding sites

• 42J · 2-(3,4-dichlorophenyl)ethanamine · ligand · 2 copies · chains A
• 4B0 · 3-(4,5,6,7-tetrabromo-1H-benzotriazol-1-yl)propan-1-ol · ligand · chains A
• NA · Sodium ion · metal · 2 copies · chains A
• CL · Chloride ion · ion · 2 copies · chains A
• EDO · 1,2-ethanediol · additive · 7 copies · chains A

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

Pockets

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

Compared structures

• 7AT9 · Structure of protein kinase ck2 catalytic subunit (csnk2a2 gene product) in complex with… · the same entry in another collection · chain A against A, TM-score 1.00
• P19784 · AlphaFold monomer V2.0 prediction for casein kinase II subunit alpha' (P19784) · a predicted model of the same protein · chain A against A, TM-score 0.98

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 P19784
• Elsewhere: RCSB PDB 7AT9 · PDBe 7AT9 · UniProt P19784