Structure of BETA2 adrenoceptor bound to carazolol and an intracellular allosteric antagonist

Structure

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

Ligands and binding sites

• CLR · Cholesterol · ligand · 2 copies · chains A
• 8VS · 4-carbamoyl-N-[(2R)-2-cyclohexyl-2-phenylacetyl]-L-phenylalanyl-3-bromo-N-methyl-L-phenylalaninamide · ligand · chains A
• CAU · (2S)-1-(9H-Carbazol-4-yloxy)-3-(isopropylamino)propan-2-ol · ligand · chains A
• ACM · Acetamide · ligand · chains A
• EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid · additive · 2 copies · chains A
• BU1 · 1,4-butanediol · additive · chains A

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

Pockets

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

Modifications

Observed in the structure: 2 disulfide, 1 covalent (disulfide, covalent ligand).

Compared structures

• 5X7D · Structure of beta2 adrenoceptor bound to carazolol and an intracellular allosteric… · 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 D9IEF7
• Elsewhere: RCSB PDB 5X7D · PDBe 5X7D · UniProt P07550 · UniProt D9IEF7