Cryoem structure of inactive gabab heterodimer

Structure

electron microscopy · 2 distinct chains · 48% helix, 14% strand (DSSP).

Ligands and binding sites

• L9Q · (1S)-2-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(octadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate · ligand · 2 copies · chains A, B
• SGG · [(2~{S})-3-[[(1~{S})-1-(3,4-dichlorophenyl) ethyl]amino]-2-oxidanyl-propyl]-(phenylmethyl) phosphinic acid · ligand · chains A
• NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 6 copies · chains A, B
• MG · Magnesium ion · metal · chains A

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

Pockets

20 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.

Interfaces

1 interface between chains.

• A–B · 916 Ų buried · 3 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 5 disulfide, 4 glycan (disulfide, N-glycosylation).

Compared structures

• 6W2X · CryoEM Structure of Inactive GABAB Heterodimer · 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 0.91
• 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 0.82

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 6W2X · PDBe 6W2X · UniProt Q9UBS5 · UniProt O75899