N-terminal bromodomain of human BRD4 with 8-(((3R,4R,5S)-3-((4,4- DIFLUOROCYCLOHEXYL)METHOXY)-5-methoxypiperidin-4-YL)AMINO)-3-methyl- 5-(5-methylpyridin-3-yl)-1,7-naphthyridin-2(1H)-one

Structure

x-ray diffraction · 1 distinct chain · 57% helix, 0% strand (DSSP).

Ligands and binding sites

• 6XX · 8-(((3R,4R,5S)-3-((4,4-difluorocyclohexyl)methoxy)-5-methoxypiperidin-4-yl)amino)-3-methyl-5-(5-methylpyridin-3-yl)-1,7-naphthyridin-2(1H)-one · ligand · chains A
• EDO · 1,2-ethanediol · 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

• 5LJ1 · N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 8-(((3R,4R,5S)-3-((4,4-difluorocyclohexyl)methox… · 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 5LJ1 · PDBe 5LJ1 · UniProt O60885