Crystal structure of the second bromodomain of human BRD2 in complex with a quinazolinone ligand (rvx-208)

Structure

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

Ligands and binding sites

• 1K0 · 2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxyquinazolin-4(3H)-one · ligand · chains A
• EDO · 1,2-ethanediol · additive · 3 copies · chains A
• DMS · Dimethyl sulfoxide · 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

• 4MR6 · Crystal Structure of the second bromodomain of human BRD2 in complex with a quinazoli… · 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 4MR6 · PDBe 4MR6 · UniProt P25440