Crystal structure of the first bromodomain of human BRD4 in complex with GW612286X

Structure

x-ray diffraction · 1 distinct chain · 52% helix, 0% strand (DSSP).

Ligands and binding sites

• SAV · N~4~-(3-methyl-1H-indazol-6-yl)-N~2~-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine · ligand · chains A
• CL · Chloride ion · ion · chains A
• EDO · 1,2-ethanediol · additive · 5 copies · chains A
• PGE · Triethylene glycol · 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.

Compared structures

• 4O78 · Crystal structure of the first bromodomain of human BRD4 in complex with GW612286X · the same entry in another collection · chain A against A, TM-score 1.00
• O60885 · AlphaFold monomer V2.0 prediction for bromodomain-containing protein 4 (O60885) · a predicted model of the same protein · chain A against A, TM-score 0.96

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 O60885
• Elsewhere: RCSB PDB 4O78 · PDBe 4O78 · UniProt O60885