Crystal structure of human ATAD2 bromodomain in complex with 5-5-methoxypyridin-3-yl-3-methyl-8-piperidin-4- ylamino-1,2-dihydro-1,7-naphthyridin-2-one

Structure

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

Ligands and binding sites

• NP8 · 5-(5-methoxypyridin-3-yl)-3-methyl-8-[(piperidin-4-yl)amino]-1,2-dihydro-1,7-naphthyridin-2-one · ligand · chains A
• SO4 · Sulfate ion · ion · 3 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

• 5A5R · Crystal structure of human ATAD2 bromodomain in complex with 5-5… · 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 5A5R · PDBe 5A5R · UniProt Q6PL18