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Defining binding efficiency and specificity of auxins for SCFTIR1/AFB-Aux/IAA co-receptor complex formation
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Lee, Sarah C., Sundaram, Shanthy, Armitage, Lynne, Evans, John P., Hawkes, Tim, Kepinski, Stefan, Ferro, Noel and Napier, R. (Richard) (2014) Defining binding efficiency and specificity of auxins for SCFTIR1/AFB-Aux/IAA co-receptor complex formation. ACS Chemical Biology, Volume 9 (Number 3). pp. 673-682. doi:10.1021/cb400618m ISSN 1554-8929.
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Official URL: http://dx.doi.org/10.1021/cb400618m
Abstract
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.
Item Type: | Journal Article | ||||||||||
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Subjects: | Q Science > QK Botany | ||||||||||
Divisions: | Faculty of Science, Engineering and Medicine > Science > Life Sciences (2010- ) | ||||||||||
Library of Congress Subject Headings (LCSH): | Auxin | ||||||||||
Journal or Publication Title: | ACS Chemical Biology | ||||||||||
Publisher: | American Chemical Society | ||||||||||
ISSN: | 1554-8929 | ||||||||||
Official Date: | 21 March 2014 | ||||||||||
Dates: |
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Volume: | Volume 9 | ||||||||||
Number: | Number 3 | ||||||||||
Page Range: | pp. 673-682 | ||||||||||
DOI: | 10.1021/cb400618m | ||||||||||
Status: | Peer Reviewed | ||||||||||
Publication Status: | Published | ||||||||||
Access rights to Published version: | Open Access (Creative Commons) | ||||||||||
Date of first compliant deposit: | 26 December 2015 | ||||||||||
Date of first compliant Open Access: | 26 December 2015 | ||||||||||
Funder: | Biotechnology and Biological Sciences Research Council (Great Britain) (BBSRC), New Delhi (India). University Grants Commission, Commonwealth Scholarship Commission in the United Kingdom (CSCUK) | ||||||||||
Grant number: | BB/F014651/1 (BBSRC), INCF-2010-80 (CSCUK) |
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