Crystal structure of human ATAD2 bromodomain in complex with N-(4- bromo-3-((3-methylpiperidin-1-YL)SULFONYL)PHENYL)-2-(2,5- dioxoimidazolidin-1-YL)ACETAMIDE

Structure

x-ray diffraction · 1 distinct chain · 73% helix, 0% strand (DSSP).

Ligands and binding sites

• KW5 · 2-[2,5-bis(oxidanylidene)imidazolidin-1-yl]-~{N}-[4-bromanyl-3-[(3~{S})-3-methylpiperidin-1-yl]sulfonyl-phenyl]ethanamide · ligand · chains A
• SO4 · Sulfate ion · ion · 2 copies · chains A
• EDO · 1,2-ethanediol · additive · 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

• 6S55 · Crystal structure of human ATAD2 bromodomain in complex with… · 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 6S55 · PDBe 6S55 · UniProt Q6PL18