Crystal structure of the human BETA2 adrenergic receptor in complex with the inverse agonist ici 118,551

Structure

x-ray diffraction · 1 distinct chain · 74% helix, 3% strand (DSSP).

Ligands and binding sites

• CLR · Cholesterol · ligand · 2 copies · chains A
• JRZ · (2S,3S)-1-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-[(1-methylethyl)amino]butan-2-ol · ligand · chains A
• OLA · Oleic acid · ligand · chains A
• OLC · (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate · additive · 2 copies · chains A
• PGE · Triethylene glycol · additive · chains A

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

Pockets

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

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

• 3NY8 · Crystal structure of the human beta2 adrenergic receptor in complex with the inverse… · 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 0.66

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 P07550
• Every structure of UniProt P00720
• Elsewhere: RCSB PDB 3NY8 · PDBe 3NY8 · UniProt P07550 · UniProt P00720