Crystal structure of the human BRD2 BD2 bromodimain in complex with a tetrahydroquinoline analogue

Structure

x-ray diffraction · 1 distinct chain · 67% helix, 0% strand (DSSP).

Ligands and binding sites

• G7V · 4-{[(2S,4R)-1-acetyl-2-methyl-6-(1H-pyrazol-3-yl)-1,2, 3,4-tetrahydroquinolin-4-yl]amino}benzonitrile · ligand · chains A
• EDO · 1,2-ethanediol · additive · 5 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, 1 with a druggability of 0.5 or more.

Compared structures

• 6DDJ · Crystal Structure of the human BRD2 BD2 bromodimain in complex with a Tetrahydroquinoline… · 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 0.94

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 6DDJ · PDBe 6DDJ · UniProt P25440