Crystal structure of the second bromodomain of BRD2 in complex with RT53

Structure

x-ray diffraction · 1 distinct chain · 71% helix, 0% strand (DSSP).

Ligands and binding sites

• H7B · 2-[(4~{S})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{H}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-1-[4-(dimethylamino)piperidin-1-yl]ethanone · ligand · 2 copies · chains A, B
• EDO · 1,2-ethanediol · additive · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Interfaces

1 interface between chains.

• A–B · 792 Ų buried · 9 hydrogen bonds · protein-protein

Compared structures

• 6I80 · Crystal Structure of the second bromodomain of BRD2 in complex with RT53 · the same entry in another collection · chain A against A, TM-score 1.00
• P25440 · AlphaFold monomer V2.0 prediction for bromodomain-containing protein 2 (P25440) · a predicted model of the same protein · chain A against A, TM-score 0.98

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 P25440
• Elsewhere: RCSB PDB 6I80 · PDBe 6I80 · UniProt P25440