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

Structure

x-ray diffraction · 2 distinct chains · 67% helix, 5% strand (DSSP).

Ligands and binding sites

• DEX · Dexamethasone · ligand · chains A
• ACE · Acetyl group · ligand · chains A
• DMS · Dimethyl sulfoxide · additive · 2 copies · chains A
• FMT · Formic acid · additive · 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 · 567 Ų buried · 3 hydrogen bonds · protein-protein

Compared structures

• 6NWK · 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 0.74

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 Q9UBK2
• Elsewhere: RCSB PDB 6NWK · PDBe 6NWK · UniProt Q9UBK2