BRD4 bromodomain in complex with CPD59 ((S)-1-(3-((2-fluoro-4-(1- methyl-1H-pyrazol-4-YL)PHENYL)AMINO)-1-(tetrahydrofuran-3-yl)-6,7- dihydro-1H-PYRAZOLO[4,3-C]PYRIDIN-5(4H)-YL)ETHANONE)

Structure

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

Ligands and binding sites

• 6XH · 1-[3-[[2-fluoranyl-4-(1-methylpyrazol-4-yl) phenyl]amino]-1-[(3~{S})-oxolan-3-yl]-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-5-yl]ethanone · ligand · chains A
• EDO · 1,2-ethanediol · additive · 6 copies · chains A
• DMS · Dimethyl sulfoxide · additive · 2 copies · chains A
• GOL · Glycerol · additive · chains A
• PEG · Di(hydroxyethyl)ether · 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

• 5KU3 · BRD4 bromodomain in complex with Cpd59 ((S)-1-(3-((2-fluoro-4-(1-methyl-1H-pyrazol-4-yl)ph… · 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 0.95

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 5KU3 · PDBe 5KU3 · UniProt O60885