6PS8

XFEL MT1R structure by ligand exchange from agomelatine to 2-phenylmelatonin.

Summary for 6PS8

Entry DOI	10.2210/pdb6ps8/pdb
Descriptor	Fusion protein of Melatonin receptor type 1A and GlgA glycogen synthase, N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]acetamide (2 entities in total)
Functional Keywords	gpcr, complex-lcp method, sbdd, drug design, xfel, lcp-sfx, ligand exchange, agomelatine, 2-phenyl melatonin, membrane protein, mt1
Biological source	Homo sapiens (Human) More
Total number of polymer chains	1
Total formula weight	56905.73
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 Cited by PubMed: 31709066 DOI: 10.1107/S2052252519013137 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (3.3 Å)

Structure validation