6TOT

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

6TOT の概要

• エントリーDOI: 10.2210/pdb6tot/pdb
• 関連するPDBエントリー: 6TO7 6TOD 6TOS
• 分子名称: 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)
• 機能のキーワード: 7tm, gpcr, membrane protein
• 由来する生物種: Homo sapiens (Human)
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 81938.94

構造登録者

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. (登録日: 2019-12-11, 公開日: 2020-01-15, 最終更新日: 2024-01-24)

• 主引用文献: 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

実験手法

X-RAY DIFFRACTION (2.22 Å)