9C4P

Crystal structure of wild-type arabidopsis thaliana acetohydroxyacid synthase in complex with commercial herbicide triasulfuron

これはPDB形式変換不可エントリーです。

9C4P の概要

• エントリーDOI: 10.2210/pdb9c4p/pdb
• 関連するPDBエントリー: 5k2o
• 分子名称: Acetolactate synthase, chloroplastic, MAGNESIUM ION, FLAVIN-ADENINE DINUCLEOTIDE, ... (9 entities in total)
• 機能のキーワード: herbicide, resistance, ahas, als, ligase, transferase
• 由来する生物種: Arabidopsis thaliana (thale cress)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 66974.58

構造登録者

Cheng, Y.,Guddat, L.W. (登録日: 2024-06-05, 公開日: 2024-10-23)

主引用文献

Cheng, Y.,Wang, Y.,Lonhienne, T.,Wang, J.G.,Guddat, L.W.
Crystal Structures of Arabidopsis thaliana Acetohydroxyacid Synthase in Complex with the Herbicide Triasulfuron and Two Analogues with Herbicidal Activity in Field Trials.
J.Agric.Food Chem., 2024

PubMed Abstract: Triasulfuron is a commercial herbicide of the sulfonylurea family. This compound targets acetohydroxyacid synthase (AHAS, E.C. 2.2.1.6), the first enzyme in the branched chain amino acid biosynthesis pathway. Here, we have determined crystal structures of AHAS (AHAS) in complex with triasulfuron and two newly designed herbicidal compounds, identified as FMO and CMO, showing that their binding modes are subtly different. Kinetic studies showed all three compounds exhibit varying values, 0.192 ± 0.013 μM for triasulfuron, 0.086 ± 0.013 μM for FMO, and 1.448 ± 0.058 μM for CMO, but all are strong time-dependent accumulative inhibitors of AHAS. Apart from triasulfuron being a powerful herbicide with application rates of 10-15 g/ha in wheat fields, CMO and FMO are also herbicidal at 7.5-30 g/ha for barnyard grass. This study emphasizes that accumulative inhibition is an important factor that contributes to herbicidal activity.

PubMed: 39373624
DOI: 10.1021/acs.jafc.4c04990

実験手法

X-RAY DIFFRACTION (2.4 Å)