Key Laboratory of Pesticide and Chemical Biology of Ministry of Education, College of Chemistry, Central China Normal University, Wuhan 430079, People's Republic of China.
J Comput Chem. 2013 Sep 15;34(24):2055-64. doi: 10.1002/jcc.23355. Epub 2013 Jun 14.
Gibberellins (GAs) are phytohormones essential for many developmental processes in plants. In this work, fundamental mechanism of hormone perception by receptor GID1 has been studied by performing computational simulations, revealing a new GA-binding channel of GID1 and a novel hormone perception mechanism involving only one conformational state of GID1. The novel hormone perception mechanism demonstrated here is remarkably different from the previously proposed/speculated mechanism [Murase et al., Nature 2008, 456, 459] involving two conformational states ("OPEN" and "CLOSED") of GID1. According to the new perception mechanism, GA acts as a "conformational stabilizer," rather than the previously speculated "allosteric inducer," to induce the recognition of protein DELLA by GID1. The novel mechanistic insights obtained in this study provide a new starting point for further studies on the detailed molecular mechanisms of GID1 interacting with DELLA and various hormones and for mechanism-based rational design of novel, potent growth regulators that target crops and ornamental plants.
赤霉素（GAs）是植物许多发育过程中必需的植物激素。在这项工作中，通过进行计算模拟研究了受体 GID1 对激素的感应的基本机制，揭示了 GID1 的新的 GA 结合通道和一种新的激素感应机制，该机制仅涉及 GID1 的一种构象状态。这里展示的新的激素感应机制与先前提出/推测的机制[Murase 等人，自然 2008，456，459]截然不同，该机制涉及 GID1 的两种构象状态（“打开”和“关闭”）。根据新的感应机制，GA 作为一种“构象稳定剂”，而不是以前推测的“变构诱导剂”，来诱导 GID1 识别蛋白 DELLA。本研究获得的新的机制见解为进一步研究 GID1 与 DELLA 和各种激素相互作用的详细分子机制以及基于机制的新型、有效的生长调节剂的合理设计提供了新的起点，这些调节剂针对作物和观赏植物。
