6TQ6

Crystal structure of the Orexin-1 receptor in complex with Compound 14

Summary for 6TQ6

• Entry DOI: 10.2210/pdb6tq6/pdb
• Related: 6TO7 6TOD 6TOS 6TOT 6TP3 6TP4 6TP6 6TQ4
• Descriptor: Orexin receptor type 1, 2-(5-methylsulfonylpyridin-3-yl)-1,1-bis(oxidanylidene)-4-[[2,4,6-tris(fluoranyl)phenyl]methyl]pyrido[2,3-e][1,2,4]thiadiazin-3-one, SULFATE ION, ... (7 entities in total)
• Functional Keywords: 7tm, gpcr, membrane protein
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 2
• Total formula weight: 89803.75

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: 2019-12-16, release date: 2020-01-01, 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; PubMed: 31860301; DOI: 10.1021/acs.jmedchem.9b01787

Experimental method

X-RAY DIFFRACTION (2.546 Å)