7F61

Crystal structure of human histamine receptor H3R in complex with antagonist PF03654746

7F61 の概要

• エントリーDOI: 10.2210/pdb7f61/pdb
• 分子名称: Histamine H3 receptor, Soluble cytochrome b562, N-ethyl-3-fluoranyl-3-[3-fluoranyl-4-(pyrrolidin-1-ylmethyl)phenyl]cyclobutane-1-carboxamide, ... (5 entities in total)
• 機能のキーワード: gpcr, histamine receptor, membrane protein
• 由来する生物種: Homo sapiens (Human); 詳細
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 62550.11

構造登録者

Peng, X.,Zhang, H. (登録日: 2021-06-23, 公開日: 2022-10-26, 最終更新日: 2024-10-23)

主引用文献

Peng, X.,Yang, L.,Liu, Z.,Lou, S.,Mei, S.,Li, M.,Chen, Z.,Zhang, H.
Structural basis for recognition of antihistamine drug by human histamine receptor.
Nat Commun, 13:6105-6105, 2022

PubMed Abstract: The histamine receptors belong to the G protein-coupled receptor (GPCR) superfamily, and play important roles in the regulation of histamine and other neurotransmitters in the central nervous system, as potential targets for the treatment of neurologic and psychiatric disorders. Here we report the crystal structure of human histamine receptor HR bound to an antagonist PF-03654746 at 2.6 Å resolution. Combined with the computational and functional assays, our structure reveals binding modes of the antagonist and allosteric cholesterol. Molecular dynamic simulations and molecular docking of different antihistamines further elucidate the conserved ligand-binding modes. These findings are therefore expected to facilitate the structure-based design of novel antihistamines.

PubMed: 36243875
DOI: 10.1038/s41467-022-33880-y

実験手法

X-RAY DIFFRACTION (2.6 Å)