Bromodomain of human GCN5 with 4-bromo-2-methyl-5-(((3R,5R)-1-methyl- 5-phenylpiperidin-3-YL)AMINO)PYRIDAZIN-3(2H)-one

Structure

x-ray diffraction · 2 distinct chains · 67% helix, 0% strand (DSSP).

Ligands and binding sites

• 9ST · 4-bromo-2-methyl-5-[[(3~{R},5~{R})-1-methyl-5-phenyl-piperidin-3-yl]amino]pyridazin-3-one · 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

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

Interfaces

1 interface between chains.

• A–B · 456 Ų buried · 4 hydrogen bonds · protein-protein

Compared structures

• 5MLJ · Bromodomain of Human GCN5 with 4-bromo-2-methyl-5-(((3R,5R)-1-methyl-5-phenylpiperidin-3-y… · the same entry in another collection · chain A against A, TM-score 1.00
• Q92830 · AlphaFold monomer V2.0 prediction for histone acetyltransferase KAT2A (Q92830) · a predicted model of the same protein · chain B against A, TM-score 0.99

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 Q92830
• Elsewhere: RCSB PDB 5MLJ · PDBe 5MLJ · UniProt Q92830