Crystal structure of the fifth bromodomain of human protein polybromo- 1 in complex with 2-(6-amino-5-(piperazin-1-YL)PYRIDAZIN-3-YL)PHENOL

Structure

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

Ligands and binding sites

• FX5 · 2-(6-azanyl-5-piperazin-4-ium-1-yl-pyridazin-3-yl) phenol · ligand · 2 copies · chains A, B
• EDO · 1,2-ethanediol · additive · 2 copies · chains A, B

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.

Interfaces

1 interface between chains.

• A–B · 667 Ų buried · 11 hydrogen bonds · protein-protein

Compared structures

• 6ZS3 · Crystal structure of the fifth bromodomain of human protein polybromo-1 in complex with… · the same entry in another collection · chain A against A, TM-score 1.00
• Q86U86 · AlphaFold monomer V2.0 prediction for protein polybromo-1 (Q86U86) · 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 Q86U86
• Elsewhere: RCSB PDB 6ZS3 · PDBe 6ZS3 · UniProt Q86U86