6PS5

XFEL beta2 AR structure by ligand exchange from Timolol to Propranolol.

Summary for 6PS5

• Entry DOI: 10.2210/pdb6ps5/pdb
• Descriptor: Fusion protein of Beta-2 adrenergic receptor and T4 Lysozyme, 1-(ISOPROPYLAMINO)-3-(1-NAPHTHYLOXY)-2-PROPANOL, SULFATE ION, ... (6 entities in total)
• Functional Keywords: gpcr, complex-lcp method, sbdd, drug design, xfel, lcp-sfx, ligand exchange, timolol, propranolol, b2ar, beta2ar, membrane protein
• Biological source: Homo sapiens (Human); More
• Total number of polymer chains: 1
• Total formula weight: 60795.58

Authors

Ishchenko, A.,Stauch, B.,Han, G.W.,Batyuk, A.,Shiriaeva, A.,Li, C.,Zatsepin, N.A.,Weierstall, U.,Liu, W.,Nango, E.,Nakane, T.,Tanaka, R.,Tono, K.,Joti, Y.,Iwata, S.,Moraes, I.,Gati, C.,Cherezov, C. (deposition date: 2019-07-12, release date: 2019-11-13, Last modification date: 2023-10-11)

• Primary citation: 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.; Toward G protein-coupled receptor structure-based drug design using X-ray lasers.; Iucrj, 6:1106-1119, 2019; PubMed: 31709066; DOI: 10.1107/S2052252519013137

Experimental method

X-RAY DIFFRACTION (2.9 Å)