Brand  (β version)

PDB ID: 6PS8

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Ligands
Code Name Style Show Link
JEY N-[2-(5-methoxy-2-phenyl-1h-indol-3-yl)ethyl]acetamide PoSSuM
Non-standard Residues
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YCM S-(2-amino-2-oxoethyl)-L-cysteine
Glycosylation
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Structure summary

Code : 6PS8   PDBj   RCSB PDB   PDBe
Header : MEMBRANE PROTEIN
Title : XFEL MT1R structure by ligand exchange from agomelatine to 2-phenylmelatonin.
Release Data : 2019-11-13
Compound :
mol_id molecule chains synonym
1 Fusion protein of Melatonin receptor type 1A and GlgA glycogen synthase A Mel1a receptor,Glycogen synthase,Mel1a receptor
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Spodoptera frugiperda  (taxid:7108)
strain: GE5 / Orsay
gene: MTNR1A
expression_system_common: Fall armyworm
expression_system_vector_type: baculovirus
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.
Keywords : GPCR, COMPLEX-LCP method, SBDD, drug design, XFEL, LCP-SFX, Ligand Exchange, Agomelatine, 2-phenyl melatonin, MEMBRANE PROTEIN, MT1
Exp. method : X-RAY DIFFRACTION ( 3.3000 Å )
Citation :

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

Ishchenko, A.,Stauch, B.,Han, G.W.  et al.
(2019)  Iucrj  6 : 1106 - 1119

PubMed: 31709066
DOI: 10.1107/S2052252519013137

Reaction

Chain : A
UniProt : P48039 (MTR1A_HUMAN)
Reaction : -
Chain : A
UniProt : Q9V2J8 (Q9V2J8_PYRAB)
Reaction : -