Human metabotropic GABA(B) receptor bound to agonist SKF97541 and positive allosteric modulator GS39783

Structure

electron microscopy · 2 distinct chains · 44% helix, 13% strand (DSSP).

Ligands and binding sites

• QD7 · (R)-(3-aminopropyl)methylphosphinic acid · ligand · chains A
• QDA · N~4~,N~6~-dicyclopentyl-2-(methylsulfanyl)-5-nitropyrimidine-4,6-diamine · ligand · chains A, B
• NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 12 copies · chains A, B
• BMA · beta-D-mannopyranose · sugar

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

Pockets

20 pockets found on a 1 Å grid, 15 with a druggability of 0.5 or more.

Interfaces

1 interface between chains.

• A–B · 1852 Ų buried · 10 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 9 glycan, 7 disulfide (N-glycosylation, disulfide).

Compared structures

• 6UO8 · Human metabotropic GABA(B) receptor bound to agonist SKF97541 and positive allosteric… · the same entry in another collection · chain A against A, TM-score 1.00
• O75899 · AlphaFold monomer V2.0 prediction for gamma-aminobutyric acid type B receptor subunit 2… · a predicted model of the same protein · chain B against A, TM-score 0.78
• Q9UBS5 · AlphaFold monomer V2.0 prediction for gamma-aminobutyric acid type B receptor subunit 1… · a predicted model of the same protein · chain A 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 Q9UBS5
• Every structure of UniProt O75899
• Elsewhere: RCSB PDB 6UO8 · PDBe 6UO8 · UniProt Q9UBS5 · UniProt O75899