8WDT

Crystal structure of the human adenosine A2A receptor in complex with photoresponsive ligand photoNECA(blue)

Summary for 8WDT

• Entry DOI: 10.2210/pdb8wdt/pdb
• Descriptor: Adenosine receptor A2a, Antibody Fab fragment light chain, Antibody Fab fragment heavy chain, ... (4 entities in total)
• Functional Keywords: g-protein coupled receptor, gpcr, membrane protein
• Biological source: Homo sapiens (human); More
• Total number of polymer chains: 3
• Total formula weight: 87197.35

Authors

Araya, T.,Asada, H.,Iwata, S.,Im, D.H. (deposition date: 2023-09-16, release date: 2024-01-17, Last modification date: 2024-11-13)

Primary citation

Araya, T.,Matsuba, Y.,Suzuki, H.,Doura, T.,Nuemket, N.,Nango, E.,Yamamoto, M.,Im, D.,Asada, H.,Kiyonaka, S.,Iwata, S.
Crystal structure reveals the binding mode and selectivity of a photoswitchable ligand for the adenosine A 2A receptor.
Biochem.Biophys.Res.Commun., 695:149393-149393, 2023

PubMed Abstract: Rational synthetic expansion of photoresponsive ligands is important for photopharmacological studies. Adenosine A receptor (AR) is stimulated by adenosine and related in Parkinson's disease and other diseases. Here, we report the crystal structure of the AR in complex with the novel photoresponsive ligand photoNECA (blue) at 3.34 Å resolution. PhotoNECA (blue) was designed for this structural study and the cell-based assay showed a photoresponsive and receptor selective characteristics of photoNECA (blue) for AR. The crystal structure explains the binding mode, photoresponsive mechanism and receptor selectivity of photoNECA (blue). Our study would promote not only the rational design of photoresponsive ligands but also dynamic structural studies of AR.

PubMed: 38171234
DOI: 10.1016/j.bbrc.2023.149393

Experimental method

X-RAY DIFFRACTION (3.34 Å)