Fragment-based screening of the bromodomain of ATAD2

Structure

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

Ligands and binding sites

• 39R · 3-(5-phenyl-4H-1,2,4-triazol-3-yl)aniline · ligand · chains A
• CL · Chloride ion · ion · 2 copies · chains A
• SO4 · Sulfate ion · ion · chains A
• TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · 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.

Modifications

Observed in the structure: 1 modified (oxidation).

Compared structures

• 4TZ2 · Fragment-Based Screening of the Bromodomain of ATAD2 · 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 4TZ2 · PDBe 4TZ2 · UniProt Q6PL18