Crystal structure of human pcaf bromodomain in complex with fragment ZB1916 (fragment 10)

Structure

x-ray diffraction · 2 distinct chains · 66% helix, 0% strand (DSSP).

Ligands and binding sites

• 5WZ · (4-azanylpiperidin-1-yl)-cyclopropyl-methanone · ligand · chains A
• EDO · 1,2-ethanediol · additive · 10 copies · chains A, B
• DMS · Dimethyl sulfoxide · additive · chains B

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

Pockets

3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Interfaces

1 interface between chains.

• A–B · 841 Ų buried · 11 hydrogen bonds · protein-protein

Compared structures

• 5FE6 · Crystal structure of human PCAF bromodomain in complex with fragment ZB1916 (fragment 10) · the same entry in another collection · chain A against A, TM-score 1.00
• Q92831 · AlphaFold monomer V2.0 prediction for histone acetyltransferase KAT2B (Q92831) · a predicted model of the same protein · chain A 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 Q92831
• Elsewhere: RCSB PDB 5FE6 · PDBe 5FE6 · UniProt Q92831