Crystal structure of HBRD4 in complex with bl-BI06 reveals a novel synthesized inhibitor that induces BECLIN1-INDEPENDENT/ATG5-dependent autophagic cell death in breast cancer

Structure

x-ray diffraction · 1 distinct chain · 58% helix, 0% strand (DSSP).

Ligands and binding sites

• 4V1 · 2-(4-hydroxy-3,5-dimethylphenyl)-7-methyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(3H)-one · 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

• 4ZW1 · Crystal structure of hBRD4 in complex with BL-BI06 reveals a novel synthesized inhibitor… · 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 0.95

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 4ZW1 · PDBe 4ZW1 · UniProt O60885