Glucocorticoid receptor in complex with budesonide

Structure

x-ray diffraction · 2 distinct chains · 67% helix, 4% strand (DSSP).

Ligands and binding sites

• CPS · 3-[(3-cholamidopropyl)dimethylammonio]-1-propanesulfonate · ligand · chains A
• 8W5 · (1~{S},2~{S},4~{R},6~{R},8~{S},9~{S},11~{S},12~{S}, 13~{R})-9,13-dimethyl-11-oxidanyl-8-(2-oxidanylethanoyl)-6-propyl-5,7-dioxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13, 18}]icosa-14,17-dien-16-one · ligand · chains A
• EDO · 1,2-ethanediol · additive · chains A
• GOL · Glycerol · additive · chains A

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

Pockets

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

Interfaces

1 interface between chains.

• A–B · 637 Ų buried · 14 hydrogen bonds · protein-protein

Compared structures

• 5NFP · Glucocorticoid Receptor in complex with budesonide · the same entry in another collection · chain A against A, TM-score 1.00
• P04150 · AlphaFold monomer V2.0 prediction for glucocorticoid receptor (P04150) · 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 P04150
• Every structure of UniProt Q15596
• Elsewhere: RCSB PDB 5NFP · PDBe 5NFP · UniProt P04150 · UniProt Q15596