Pandda analysis group deposition -- crystal structure of ATAD2 in complex with PC591

Structure

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

Ligands and binding sites

• RKJ · (4r,4as,7as,9s)-6-ethyl-3,10-dimethyl-5,6,7,7A,8,9-hexahydro-4H-4A,9-epiminopyrrolo[3',4':5, 6]cyclohepta[1,2-d][1,2]oxazol-4-ol · ligand · 2 copies · 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

• 5QY0 · PanDDA analysis group deposition -- Crystal Structure of ATAD2 in complex with PC591 · 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 5QY0 · PDBe 5QY0 · UniProt Q6PL18