Crystal structure of human protein kinase CK2ALPHA (CSNK2A1 gene product) in complex with the ATP-competitive inhibitor 5,6,7- tribromo-1H-TRIAZOLO[4,5-B]PYRIDINE

Structure

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

Ligands and binding sites

• QWW · 5,6,7-tris(bromanyl)-1~{H}-[1,2,3]triazolo[4,5-b]pyridine · ligand · 2 copies · chains A, B
• SO4 · Sulfate ion · ion · 6 copies · chains A, B
• GOL · Glycerol · additive · 3 copies · chains A, B

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

Pockets

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

Interfaces

1 interface between chains.

• A–B · 551 Ų buried · 7 hydrogen bonds · protein-protein

Compared structures

• 7A4C · Crystal structure of human protein kinase CK2alpha (CSNK2A1 gene product) in complex with… · 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 A 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 7A4C · PDBe 7A4C · UniProt P68400