6TOT

Crystal structure of the Orexin-1 receptor in complex with lemborexant

Summary for 6TOT

Entry DOI	10.2210/pdb6tot/pdb
Related	6TO7 6TOD 6TOS
Descriptor	Orexin receptor type 1, (1~{R},2~{S})-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-~{N}-(5-fluoranylpyridin-2-yl)-2-(3-fluorophenyl)cyclopropane-1-carboxamide, TETRAETHYLENE GLYCOL, ... (7 entities in total)
Functional Keywords	7tm, gpcr, membrane protein
Biological source	Homo sapiens (Human)
Total number of polymer chains	2
Total formula weight	81938.94
Authors	Rappas, M.,Ali, A.,Bennett, K.A.,Brown, J.D.,Bucknell, S.J.,Congreve, M.,Cooke, R.M.,Cseke, G.,de Graaf, C.,Dore, A.S.,Errey, J.C.,Jazayeri, A.,Marshall, F.H.,Mason, J.S.,Mould, R.,Patel, J.C.,Tehan, B.G.,Weir, M.,Christopher, J.A. (deposition date: 2019-12-11, release date: 2020-01-15, Last modification date: 2024-01-24)
Primary citation	Rappas, M.,Ali, A.A.E.,Bennett, K.A.,Brown, J.D.,Bucknell, S.J.,Congreve, M.,Cooke, R.M.,Cseke, G.,de Graaf, C.,Dore, A.S.,Errey, J.C.,Jazayeri, A.,Marshall, F.H.,Mason, J.S.,Mould, R.,Patel, J.C.,Tehan, B.G.,Weir, M.,Christopher, J.A. Comparison of Orexin 1 and Orexin 2 Ligand Binding Modes Using X-ray Crystallography and Computational Analysis. J.Med.Chem., 63:1528-1543, 2020 Cited by PubMed: 31860301 DOI: 10.1021/acs.jmedchem.9b01787 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.22 Å)

Structure validation