ATAD2B bromodomain in complex with 4-({[(3R,4R)-4-{[3-methyl-5-(5- methylpyridin-3-yl)-2-oxo-1,2-dihydro-1,7-naphthyridin-8- YL]AMINO}PIPERIDIN-3-YL]OXY}METHYL)-1LAMBDA~6~-thiane-1,1-dione (compound 38)

Structure

x-ray diffraction · 1 distinct chain · 74% helix, 0% strand (DSSP).

Ligands and binding sites

• YD4 · 4-({[(3R,4R)-4-{[3-methyl-5-(5-methylpyridin-3-yl)-2-oxo-1,2-dihydro-1,7-naphthyridin-8-yl]amino}piperidin-3-yl]oxy}methyl)-1lambda~6~-thiane-1,1-dione · ligand · chains A
• SO4 · Sulfate ion · ion · 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

• 6VEO · ATAD2B bromodomain in complex with 4-({[(3R,4R)-4-{[3-methyl-5-(5-methylpyridin-3-yl)-2-ox… · the same entry in another collection · chain A against A, TM-score 1.00
• Q9ULI0 · AlphaFold monomer V2.0 prediction for ATPase family aaa domain- containing protein 2B… · 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 Q9ULI0
• Elsewhere: RCSB PDB 6VEO · PDBe 6VEO · UniProt Q9ULI0