Crystal structure of human ATAD2 bromodomain in complex with 8-(((1R, 2R,3R,5S)-2-(2-(1,1-dioxidotetrahydro-2H-thiopyran-4-YL)ETHYL)-8- AZABICYCLO[3.2.1]OCTAN-3-YL)AMINO)-3-methyl-5-(5-methylpyridin-3-yl) quinolin-2(1H)-one

Structure

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

Ligands and binding sites

• FZH · 8-[[(1~{S},2~{R},3~{R},5~{R})-2-[2-[1,1-bis(oxidanylidene)thian-4-yl]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]amino]-3-methyl-5-(5-methylpyridin-3-yl)-1~{H}-quinolin-2-one · 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, 0 with a druggability of 0.5 or more.

Compared structures

• 6HDO · 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 6HDO · PDBe 6HDO · UniProt Q6PL18