Crystal structure of the first bromodomain of human BRD4 in complex with the dual inhibitor TW9. Determined by X-ray diffraction at 1.05 Å resolution. Released 6 May 2020.
Explore 6YQN in 3D Show helices and sheets RCSB PDB PDBe
6YQN contains 9 α-helices and 0 β-strands across 1 chain. Residue ranges use author residue numbering, as in the PDB file, from PDBe. To see them in 3D, choose the Cartoon representation with Secondary structure coloring: helices, sheets and coils get different colors.
| Element | Residues | Length | Sheet |
|---|---|---|---|
| α-helix | 43-49 | 7 | |
| α-helix | 61-65 | 5 | |
| α-helix | 66-71 | 6 | |
| α-helix | 72-75 | 4 | |
| α-helix | 81-83 | 3 | |
| α-helix | 97-100 | 4 | |
| α-helix | 107-115 | 9 | |
| α-helix | 122-139 | 18 | |
| α-helix | 145-161 | 17 |
| Molecule | Chains | Type | Length | Organism | UniProt |
|---|---|---|---|---|---|
| Bromodomain-containing protein 4 | A | protein | 127 | Homo sapiens | O60885 (AlphaFold model) |
>6YQN_1 Bromodomain-containing protein 4 (chains A) SMNPPPPETSNPNKPKRQTNQLQYLLRVVLKTLWKHQFAWPFQQPVDAVKLNLPDYYKII KTPMDMGTIKKRLENNYYWNAQECIQDFNTMFTNCYIYNKPGDDIVLMAEALEKLFLQKI NELPTEE
| ID | Name | Formula | Copies |
|---|---|---|---|
| P8T | ~{N}-(2-aminophenyl)-4-[2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1… | C32 H28 Cl N7 O2 S | 1 |
Water and common crystallization additives (EDO) are not listed.
Characterization of a dual BET/HDAC inhibitor for treatment of pancreatic ductal adenocarcinoma. Zhang, X., Zegar, T., Weiser, T. et al. Int J Cancer (2020) 147:2847-2861. DOI 10.1002/ijc.33137 · PubMed
Other PDB entries of the same protein (UniProt O60885 (AlphaFold model), which also has an AlphaFold model), best resolution first:
MolViewer shows 6YQN directly in your browser with nothing to install. Switch between cartoon, ball-and-stick, spacefill and surface views, color by chain, secondary structure or B-factor, measure distances, angles and dihedrals, and share or embed the view.