6PS7

XFEL A2aR structure by ligand exchange from LUF5843 to ZM241385.

Summary for 6PS7

• Entry DOI: 10.2210/pdb6ps7/pdb
• Descriptor: Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol, (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, ... (8 entities in total)
• Functional Keywords: gpcr, complex-lcp method, sbdd, drug design, xfel, lcp-sfx, ligand exchange, luf5843, zm241385, a2aar, membrane protein
• Biological source: Homo sapiens (Human); More
• Total number of polymer chains: 1
• Total formula weight: 58144.17

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 (1.85 Å)