Likhitsup, Asawin, Deeth, Robert J., Otto, Sijbren and Marsh, Andrew (2009) Apparent non-statistical binding in a ditopic receptor for guanosine. Organic & Biomolecular Chemistry, Vol.7 (No.10). pp. 2093-2103. doi:10.1039/b812969j

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	Other (Curve fitting for dilution of monoalkyne receptor 1 (dimer)) WRAP_Marsh_cc_dilution_pvalues.xls - Supplemental Material Download (99Kb)
	Other (Curve fitting for dilution of dialkyne receptor 2 (dimer)) WRAP_Marsh_cc_dilution_pvalue.xls - Supplemental Material Download (109Kb)
	Other (Curve fitting for dilution of guanosine guest 3 (G dimer and G tetramer)) WRAP_Marsh_g_self-association_pvalues.xls - Supplemental Material Download (82Kb)
	Other (Global curve fitting for 2:1 complex 3•1•3 assuming receptor dimer and guanosine tetramer) WRAP_Marsh_monoalkynecc__2g_pvalues.xls - Supplemental Material Download (146Kb)
	Other (Global curve fitting for 2:1 complex 3•2•3 assuming receptor dimer and guanosine tetramer) WRAP_Marsh_cc__2g_pvalues.xls - Supplemental Material Download (146Kb)
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Abstract

Analysis of stepwise association constants for guests binding to more than one site in a receptor is expected to give a ratio of the first association constant to the second of about 4 : 1 on statistical grounds (since a second guest should have an equal chance of binding to a different site on the same, or a new molecule). Taking account of self-association in our analysis of a system in which the binding sites are close together, we observe a ratio closer to 1 : 1, indicative of non-statistical, or cooperative binding. The longer homologue built around two alkynes displays a very different ratio of stepwise association constants of about 7 : 1. We discuss the origins of this unusual behaviour in terms of steric interactions within the receptors and their corresponding complexes with guanosine derivatives.

Item Type:	Journal Article
Subjects:	Q Science > QD Chemistry
Divisions:	Faculty of Science > Chemistry
Library of Congress Subject Headings (LCSH):	Binding sites (Biochemistry)
Journal or Publication Title:	Organic & Biomolecular Chemistry
Publisher:	Royal Society of Chemistry
ISSN:	1477-0520
Official Date:	2009
Dates:	Date Event 2009 Published
Date of first compliant deposit:	13 December 2015
Volume:	Vol.7
Number:	No.10
Number of Pages:	11
Page Range:	pp. 2093-2103
DOI:	10.1039/b812969j
Status:	Peer Reviewed
Publication Status:	Published
Access rights to Published version:	Restricted or Subscription Access
Description:	Attached MS Excel spreadsheets that enable curve fitting of NMR titration data and calculation of probabilities of binding for molecules above. Monoalkyne is receptor 1, dialkyne is receptor 2, guanosine is guest 3. Also attached are PDF files of Supporting Information here including methods used for NMR and ITC titrations and analysis.
Funder:	University of Warwick. Dept. of Chemistry

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