Crystal structure of the bromodomain of ATAD2 with triazolopyridazine (cpd 22)

Structure

x-ray diffraction · 1 distinct chain · 71% helix, 0% strand (DSSP).

Ligands and binding sites

• 93L · (1R,9S)-13-[[3-methyl-8-[(1-methylpiperidin-4-yl) amino]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]carbonyl]-11,13-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-trien-10-one · ligand · chains A
• SO4 · Sulfate ion · ion · 3 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

• 7Q6W · Crystal structure of the bromodomain of ATAD2 with triazolopyridazine (cpd 22) · the same entry in another collection · chain A against A, TM-score 1.00
• Q6PL18 · AlphaFold monomer V2.0 prediction for ATPase family aaa domain- containing protein 2… · a predicted model of the same protein · chain A against A, TM-score 0.97

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 Q6PL18
• Elsewhere: RCSB PDB 7Q6W · PDBe 7Q6W · UniProt Q6PL18