Defining binding efficiency and specificity of auxins for SCF(TIR1/AFB)-Aux/IAA co-receptor complex formation.

Defining binding efficiency and specificity of auxins for SCF(TIR1/AFB)-Aux/IAA co-receptor complex formation.
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DOI:
10.1021/cb400618m
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发表时间:
2014-03-21
影响因子:
4
通讯作者:
Napier, Richard M.
Napier, Richard M.
中科院分区:
生物学2区
文献类型:
--
作者:
Lee, Sarah;Sundaram, Shanthy;Armitage, Lynne;Evans, John P.;Hawkes, Tim;Kepinski, Stefan;Ferro, Noel;Napier, Richard M.

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植物激素生长素的结构-活性谱已经收集了70多年,并且许多合成生长素用于农业。生长素的分类方案和结合模型的理解生长素的结构。然而,所有的数据都来自整个植物的生物测定,这意味着输出是许多不同过程的组成部分。运输抑制反应1(TIR 1)和生长素F-Box(AFB)蛋白作为生长素感知位点的发现以及生长素在辅助受体复合物组装中作为分子胶的作用使得TIR 1和AFB 5的定量结构-活性关系得以发展。结合活性的因子分析提供了与结合效率和结合选择性相关的两个不相关的因子。效率的六个最大似然估计量是重叠矩阵的变化,推断效率与电子系统的体积有关。使用强烈结合的化合物的子集,基于量子化学计算和相似性和自相似性指数的化学计量学分析产生了与差异结合相关的三类特异性。特异性可能不是由任何一个特定的原子或位置定义的,而是受库仑矩阵的影响,这表明它是由静电力驱动的。这些分析给出了生长素的第一个受体特异性分类,并表明AFB 5是许多生长素除草剂的优选位点,通过允许与具有比吲哚-3-乙酸大的货车德瓦尔斯表面的类似物相互作用。质量因素也检查长期存在的模型生长素结合的机制。
Structure–activity profiles for the phytohormone auxin have been collected for over 70 years, and a number of synthetic auxins are used in agriculture. Auxin classification schemes and binding models followed from understanding auxin structures. However, all of the data came from whole plant bioassays, meaning the output was the integral of many different processes. The discovery of Transport Inhibitor-Response 1 (TIR1) and the Auxin F-Box (AFB) proteins as sites of auxin perception and the role of auxin as molecular glue in the assembly of co-receptor complexes has allowed the development of a definitive quantitative structure–activity relationship for TIR1 and AFB5. Factorial analysis of binding activities offered two uncorrelated factors associated with binding efficiency and binding selectivity. The six maximum-likelihood estimators of Efficiency are changes in the overlap matrixes, inferring that Efficiency is related to the volume of the electronic system. Using the subset of compounds that bound strongly, chemometric analyses based on quantum chemical calculations and similarity and self-similarity indices yielded three classes of Specificity that relate to differential binding. Specificity may not be defined by any one specific atom or position and is influenced by coulomb matrixes, suggesting that it is driven by electrostatic forces. These analyses give the first receptor-specific classification of auxins and indicate that AFB5 is the preferred site for a number of auxinic herbicides by allowing interactions with analogues having van der Waals surfaces larger than that of indole-3-acetic acid. The quality factors are also examined in terms of long-standing models for the mechanism of auxin binding.
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