5OLZ

Structure of the A2A-StaR2-bRIL562-Compound 4e complex at 1.9A obtained from bespoke co-crystallisation experiments.

5OLZ の概要

• エントリーDOI: 10.2210/pdb5olz/pdb
• 分子名称: Adenosine receptor A2a,Soluble cytochrome b562,Adenosine receptor A2a, 4-(3-amino-5-phenyl-1,2,4-triazin-6-yl)-2-chlorophenol, CHOLESTEROL, ... (9 entities in total)
• 機能のキーワード: g-protein coupled receptor, adenosine 2a receptor, 7 tm integral membrane protein, thermostabilizing mutations, membrane protein
• 由来する生物種: Homo sapiens (Human); 詳細
• 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: 58395.27

構造登録者

Rucktooa, P.,Cheng, R.K.Y.,Segala, E.,Geng, T.,Errey, J.C.,Brown, G.A.,Cooke, R.,Marshall, F.H.,Dore, A.S. (登録日: 2017-07-28, 公開日: 2018-01-17, 最終更新日: 2024-10-23)

主引用文献

Rucktooa, P.,Cheng, R.K.Y.,Segala, E.,Geng, T.,Errey, J.C.,Brown, G.A.,Cooke, R.M.,Marshall, F.H.,Dore, A.S.
Towards high throughput GPCR crystallography: In Meso soaking of Adenosine A2A Receptor crystals.
Sci Rep, 8:41-41, 2018

PubMed Abstract: Here we report an efficient method to generate multiple co-structures of the A G protein-coupled receptor (GPCR) with small-molecules from a single preparation of a thermostabilised receptor crystallised in Lipidic Cubic Phase (LCP). Receptor crystallisation is achieved following purification using a low affinity "carrier" ligand (theophylline) and crystals are then soaked in solutions containing the desired (higher affinity) compounds. Complete datasets to high resolution can then be collected from single crystals and seven structures are reported here of which three are novel. The method significantly improves structural throughput for ligand screening using stabilised GPCRs, thereby actively driving Structure-Based Drug Discovery (SBDD).

PubMed: 29311713
DOI: 10.1038/s41598-017-18570-w

実験手法

X-RAY DIFFRACTION (1.9 Å)