Crystal structure of the fifth bromodomain of human polybromo (PB1) in complex with 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one

Structure

x-ray diffraction · 2 distinct chains · 59% helix, 2% strand (DSSP).

Ligands and binding sites

• LU2 · 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one · ligand · 2 copies · chains A, B
• K · Potassium ion · metal · 2 copies · chains A, B
• CIT · Citric acid · additive · 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 · 698 Ų buried · 13 hydrogen bonds · protein-protein

Compared structures

• 5II2 · Crystal Structure of the fifth bromodomain of human polybromo (PB1) 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 B against A, TM-score 0.96

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 5II2 · PDBe 5II2 · UniProt Q86U86