2ZJU

Crystal Structure of Lymnaea stagnalis Acetylcholine Binding Protein (Ls-AChBP) Complexed with Imidacloprid

2ZJU の概要

• エントリーDOI: 10.2210/pdb2zju/pdb
• 関連するPDBエントリー: 2ZJV
• 分子名称: Acetylcholine-binding protein, (2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimidazolidin-2-imine (3 entities in total)
• 機能のキーワード: acetylcholine binding protein, neonicotinoids, nicotinic acetylcholine receptor, imidacloprid, cell junction, glycoprotein, immunoglobulin domain, secreted, synapse, signaling protein
• 由来する生物種: Lymnaea stagnalis (Great pond snail)
• 細胞内の位置: Secreted: P58154
• タンパク質・核酸の鎖数: 5
• 化学式量合計: 122387.36

構造登録者

Okajima, T.,Ihara, M.,Yamashita, A.,Oda, T.,Morimoto, T.,Matsuda, K. (登録日: 2008-03-10, 公開日: 2008-04-08, 最終更新日: 2024-11-20)

主引用文献

Ihara, M.,Okajima, T.,Yamashita, A.,Oda, T.,Hirata, K.,Nishiwaki, H.,Morimoto, T.,Akamatsu, M.,Ashikawa, Y.,Kuroda, S.,Mega, R.,Kuramitsu, S.,Sattelle, D.B.,Matsuda, K.
Crystal structures of Lymnaea stagnalis AChBP in complex with neonicotinoid insecticides imidacloprid and clothianidin
Invert.Neurosci., 8:71-81, 2008

PubMed Abstract: Neonicotinoid insecticides, which act on nicotinic acetylcholine receptors (nAChRs) in a variety of ways, have extremely low mammalian toxicity, yet the molecular basis of such actions is poorly understood. To elucidate the molecular basis for nAChR-neonicotinoid interactions, a surrogate protein, acetylcholine binding protein from Lymnaea stagnalis (Ls-AChBP) was crystallized in complex with neonicotinoid insecticides imidacloprid (IMI) or clothianidin (CTD). The crystal structures suggested that the guanidine moiety of IMI and CTD stacks with Tyr185, while the nitro group of IMI but not of CTD makes a hydrogen bond with Gln55. IMI showed higher binding affinity for Ls-AChBP than that of CTD, consistent with weaker CH-pi interactions in the Ls-AChBP-CTD complex than in the Ls-AChBP-IMI complex and the lack of the nitro group-Gln55 hydrogen bond in CTD. Yet, the NH at position 1 of CTD makes a hydrogen bond with the backbone carbonyl of Trp143, offering an explanation for the diverse actions of neonicotinoids on nAChRs.

PubMed: 18338186
DOI: 10.1007/s10158-008-0069-3

実験手法

X-RAY DIFFRACTION (2.58 Å)