Crystal structure of the human BRPF1 bromodomain complexed with BZ054 in space group C2

Structure

x-ray diffraction · 2 distinct chains · 64% helix, 0% strand (DSSP).

Ligands and binding sites

• B0H · ~{N}-[4-[[(3~{S},5~{R})-3,5-dimethylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-2,4-dimethyl-1,3-oxazole-5-carboxamide · ligand · 2 copies · chains A, B
• NO3 · Nitrate ion · ion · 2 copies · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.

Interfaces

1 interface between chains.

• A–B · 564 Ų buried · 5 hydrogen bonds · protein-protein

Compared structures

• 6EKQ · Crystal structure of the human BRPF1 bromodomain complexed with BZ054 in space group C2 · the same entry in another collection · chain A against A, TM-score 1.00
• P55201 · AlphaFold monomer V2.0 prediction for peregrin (P55201) · a predicted model of the same protein · chain B 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 P55201
• Elsewhere: RCSB PDB 6EKQ · PDBe 6EKQ · UniProt P55201