Crystal structure of the first bromodomain (BD1) of human BRD4 bound to gxh-II-076

Structure

x-ray diffraction · 1 distinct chain · 56% helix, 0% strand (DSSP).

Ligands and binding sites

• ZNJ · N-{3-[(2-{3-fluoro-4-[(piperidin-4-yl) carbamoyl]anilino}-5-methylpyrimidin-4-yl)amino]-5-[(2-methylpropane-2-sulfonyl)amino]benzoyl}-L-glutamic acid · ligand · chains A
• EDO · 1,2-ethanediol · additive · 2 copies · 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

• 7MR8 · Crystal structure of the first bromodomain (BD1) of human BRD4 bound to GXH-II-076 · 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 0.97

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 7MR8 · PDBe 7MR8 · UniProt O60885