3PWH

Thermostabilised Adenosine A2A Receptor

3PWH の概要

• エントリーDOI: 10.2210/pdb3pwh/pdb
• 分子名称: Adenosine receptor A2a, 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol (2 entities in total)
• 機能のキーワード: 7tm, gpcr, inverse agonist, g-protein, membrane protein, signaling protein
• 由来する生物種: Homo sapiens (human)
• 細胞内の位置: Cell membrane; Multi-pass membrane protein: P29274
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 36816.44

構造登録者

Dore, A.S.,Robertson, N.,Errey, J.C.,Ng, I.,Tehan, B.,Hurrell, E.,Magnani, F.,Tate, C.G.,Weir, M.,Marshall, F.H. (登録日: 2010-12-08, 公開日: 2011-09-07, 最終更新日: 2024-11-20)

主引用文献

Dore, A.S.,Robertson, N.,Errey, J.C.,Ng, I.,Hollenstein, K.,Tehan, B.,Hurrell, E.,Bennett, K.,Congreve, M.,Magnani, F.,Tate, C.G.,Weir, M.,Marshall, F.H.
Structure of the adenosine A(2A) receptor in complex with ZM241385 and the xanthines XAC and caffeine
Structure, 19:1283-1293, 2011

PubMed Abstract: Methylxanthines, including caffeine and theophylline, are among the most widely consumed stimulant drugs in the world. These effects are mediated primarily via blockade of adenosine receptors. Xanthine analogs with improved properties have been developed as potential treatments for diseases such as Parkinson's disease. Here we report the structures of a thermostabilized adenosine A(2A) receptor in complex with the xanthines xanthine amine congener and caffeine, as well as the A(2A) selective inverse agonist ZM241385. The receptor is crystallized in the inactive state conformation as defined by the presence of a salt bridge known as the ionic lock. The complete third intracellular loop, responsible for G protein coupling, is visible consisting of extended helices 5 and 6. The structures provide new insight into the features that define the ligand binding pocket of the adenosine receptor for ligands of diverse chemotypes as well as the cytoplasmic regions that interact with signal transduction proteins.

PubMed: 21885291
DOI: 10.1016/j.str.2011.06.014

実験手法

X-RAY DIFFRACTION (3.296 Å)