Structure of the ancestral glucocorticoid receptor 2 ligand binding domain in complex with deacetylated deflazacort and PGC1A coregulator fragment

Structure

x-ray diffraction · 2 distinct chains · 68% helix, 5% strand (DSSP).

Ligands and binding sites

• TUS · (4ar,4bs,5s,6as,6bs,9ar,10as,10bs)-5-hydroxy-6B-(hydroxyacetyl)-4A,6A,8-trimethyl-4A,4B,5,6,6A,6B,9A, 10,10A,10B,11,12-dodecahydro-2H-naphtho[2',1':4, 5]indeno[1,2-d][1,3]oxazol-2-one · ligand · chains A
• GOL · Glycerol · additive · chains A

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

Pockets

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

Interfaces

1 interface between chains.

• A–B · 545 Ų buried · 3 hydrogen bonds · protein-protein

Compared structures

• 6W9L · Structure of the Ancestral Glucocorticoid Receptor 2 ligand binding domain in complex… · the same entry in another collection · chain A against A, TM-score 1.00
• Q9UBK2 · AlphaFold monomer V2.0 prediction for peroxisome proliferator- activated receptor gamma… · a predicted model of the same protein · chain B against A, TM-score 0.70

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 A0A1X8XLE9
• Every structure of UniProt Q9UBK2
• Elsewhere: RCSB PDB 6W9L · PDBe 6W9L · UniProt A0A1X8XLE9 · UniProt Q9UBK2