Crystal structure of the first bromodomain of human BRD4 in complex with SG3-014

Structure

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

Ligands and binding sites

• 5VZ · ~{N}-[2-chloranyl-5-[[5-methyl-2-[[4-(4-methylpiperazin-1-yl)phenyl]amino]pyrimidin-4-yl]amino]phenyl]-2-methyl-propane-2-sulfonamide · ligand · chains A
• EDO · 1,2-ethanediol · additive · 3 copies · chains A
• PEG · Di(hydroxyethyl)ether · 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

• 5F60 · Crystal structure of the first bromodomain of human BRD4 in complex with SG3-014 · 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 0.97

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 O60885
• Elsewhere: RCSB PDB 5F60 · PDBe 5F60 · UniProt O60885