Human BRD2 C-terminal bromodomain with (S)-1-(2-cyclopropyl-4-(2- (HYDROXYMETHYL)BENZYL)-6-(1,2,3,6-tetrahydropyridin-4-yl)-3,4- dihydroquinoxalin-1(2H)-YL)ETHANONE

Structure

x-ray diffraction · 1 distinct chain · 69% helix, 0% strand (DSSP).

Ligands and binding sites

• D7B · (S)-1-(2-cyclopropyl-4-(2-(hydroxymethyl)benzyl)-6-(1, 2,3,6-tetrahydropyridin-4-yl)-3,4-dihydroquinoxalin-1(2H)-yl)ethanone · ligand · chains A
• EDO · 1,2-ethanediol · additive · 2 copies · chains A
• PEG · Di(hydroxyethyl)ether · additive · 2 copies · chains A
• MES · 2-(N-morpholino)-ethanesulfonic acid · 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, 0 with a druggability of 0.5 or more.

Compared structures

• 6FFG · Human BRD2 C-terminal bromodomain with (S)-1-(2-cyclopropyl-4-(2-(hydroxymethyl)benzyl)-6… · 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 0.96

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