Crystal structure of the bromodomain of human BRD1 (BRPF2) in complex with of-1 chemical probe

Structure

x-ray diffraction · 1 distinct chain · 65% helix, 0% strand (DSSP).

Ligands and binding sites

• 5XE · 4-bromanyl-~{N}-(6-methoxy-1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)-2-methyl-benzenesulfonamide · ligand · chains A
• NI · Nickel (II) ion · metal · chains A
• PO4 · Phosphate ion · ion · chains A
• EDO · 1,2-ethanediol · additive · 4 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, 0 with a druggability of 0.5 or more.

Compared structures

• 5FG6 · Crystal structure of the bromodomain of human BRD1 (BRPF2) in complex with OF-1 chemical… · the same entry in another collection · chain A against A, TM-score 1.00
• O95696 · AlphaFold monomer V2.0 prediction for bromodomain-containing protein 1 (O95696) · a predicted model of the same protein · chain A against A, TM-score 0.93

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 O95696
• Elsewhere: RCSB PDB 5FG6 · PDBe 5FG6 · UniProt O95696