Toward G protein-coupled receptor structure-based drug design using X-ray lasers

Ishchenko, A.; Stauch, B.; Han, G.W.; Batyuk, A.; Shiriaeva, A.; Li, C.; Zatsepin, N.; Weierstall, U.; Liu, W.; Nango, E.; Nakane, T.; Tanaka, R.; Tono, K.; Joti, Y.; Iwata, S.; Moraes, I.; Gati, C.; Cherezov, V.

doi:10.1107/S2052252519013137

Figure 3
Binding of propranolol and carvedilol to β₂AR. (a) Superposition of propranolol-bound (cyan) and alprenolol-bound (pink) β₂AR structures. (b) Chemical structure of carvedilol with contacting β₂AR residues within 4 Å of the ligand. (c) Superposition of carvedilol-bound β₂AR (green) and β₁AR (orange; PDB entry 4amj; two molecules from one asymmetric unit; Warne et al., 2012) structures. (d) Superposition of carvedilol-bound (green) and carazolol-bound (yellow) β₂AR structures. Hydrogen bonds are shown as dashed lines for the propranolol- and carvedilol-bound β₂AR structures only. Helices are labeled with Roman numerals.

IUCrJ

Volume 6| Part 6| November 2019| Pages 1106-1119

ISSN: 2052-2525

https://doi.org/10.1107/S2052252519013137

BIOLOGY | MEDICINE

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