9IQT

structure of niacin-HCA2-Gi

9IQT の概要

• エントリーDOI: 10.2210/pdb9iqt/pdb
• EMDBエントリー: 60795
• 分子名称: Hydroxycarboxylic acid receptor 2, Guanine nucleotide-binding protein G(i) subunit alpha-1, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... (6 entities in total)
• 機能のキーワード: agonist, complex, membrane protein/immune system, membrane protein-immune system complex
• 由来する生物種: Homo sapiens (human); 詳細
• タンパク質・核酸の鎖数: 5
• 化学式量合計: 152703.28

構造登録者

Liu, Y.,Zhou, Z. (登録日: 2024-07-13, 公開日: 2024-10-02, 最終更新日: 2024-11-13)

主引用文献

Liu, Y.,Zhou, Z.,Guan, F.,Han, Z.,Zhu, C.,Ye, S.,Yu, X.,Qiao, A.
Ligand Recognition and Activation Mechanism of the Alicarboxylic Acid Receptors.
J.Mol.Biol., 436:168795-168795, 2024

PubMed Abstract: Endogenous ligands for alicarboxylic acid receptors are important metabolic intermediates that play a significant role in regulating body energy and maintaining homeostasis. However, the molecular mechanism of alicarboxylate ligand-mediated counterpart receptors is currently unclear. We resolve the active state structure of HCA2-niacin, and the structural analysis explains the mechanism of niacin selectivity in the alicarboxylic acid receptors family. Homology modeling, molecular dynamics simulation and mutagenesis experiments reveal different ligand recognition modes and activation mechanisms of the alicarboxylic acid receptors, analyze the flexibility of the binding pocket and elucidate the important role of disulfide bonds on receptor activation and ligand binding. These more detailed molecular mechanisms further elucidate the relevant mechanisms of human metabolism and provide key clues for subsequent drug development of alicarboxylic acid receptors.

PubMed: 39299383
DOI: 10.1016/j.jmb.2024.168795

実験手法

ELECTRON MICROSCOPY (2.9 Å)