BRD4 in complex with CPD2 (N,N-dimethyl-3-(6-methyl-7-oxo-6,7-dihydro- 1H-PYRROLO[2,3-C]PYRIDIN-4-YL)BENZAMIDE)

Structure

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

Ligands and binding sites

• 67B · N,N-dimethyl-3-(6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)benzamide · ligand · chains A
• EDO · 1,2-ethanediol · additive · 2 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

• 5I80 · BRD4 in complex with Cpd2 (N,N-dimethyl-3-(6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyr… · 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 0.98

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 O60885
• Elsewhere: RCSB PDB 5I80 · PDBe 5I80 · UniProt O60885