Crystal structure of the bromodomain of human SMARCA2 in complex with smarca-bd ligand

Structure

x-ray diffraction · 1 distinct chain · 65% 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
• ZN · Zinc ion · metal · 2 copies · chains A, B

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

Pockets

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

Interfaces

1 interface between chains.

• A–B · 586 Ų buried · 14 hydrogen bonds · protein-protein

Compared structures

• 6HAZ · Crystal structure of the bromodomain of human SMARCA2 in complex with SMARCA-BD ligand · the same entry in another collection · chain A against A, TM-score 1.00
• P51531 · AlphaFold monomer V2.0 prediction for probable global transcription activator SNF2L2… · a predicted model of the same protein · chain A against A, TM-score 0.98

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 P51531
• Elsewhere: RCSB PDB 6HAZ · PDBe 6HAZ · UniProt P51531