Structure of BETA2 adrenergic receptor bound to BI167107, nanobody 6B9, and a positive allosteric modulator

Structure

x-ray diffraction · 2 distinct chains · 60% helix, 13% strand (DSSP).

Ligands and binding sites

• P0G · 8-[(1R)-2-{[1,1-dimethyl-2-(2-methylphenyl) ethyl]amino}-1-hydroxyethyl]-5-hydroxy-2H-1,4-benzoxazin-3(4H)-one · ligand · chains A
• 1WV · (2S)-2,3-dihydroxypropyl (7Z)-tetradec-7-enoate · ligand · chains A
• KBY · N-[(3R)-4-(4-tert-butylphenyl)-3-({2-[(4-methoxyphenyl)sulfanyl]-5-[methyl(propan-2-yl) sulfamoyl]benzene-1-carbonyl}amino)butanoyl]glycine · ligand · chains A

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

Pockets

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

Interfaces

1 interface between chains.

• A–B · 1159 Ų buried · 12 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 3 disulfide (disulfide).

Compared structures

• 6N48 · Structure of beta2 adrenergic receptor bound to BI167107, Nanobody 6B9, and a positive… · the same entry in another collection · chain A against A, TM-score 1.00
• P07550 · AlphaFold monomer V2.0 prediction for beta-2 adrenergic receptor (P07550) · a predicted model of the same protein · chain A against A, TM-score 0.61

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 A0A097J809
• Every structure of UniProt P07550
• Elsewhere: RCSB PDB 6N48 · PDBe 6N48 · UniProt A0A097J809 · UniProt P07550