A general framework improving teaching ligand binding to a macromolecule
| Autor: | Morgan Madec, Yves Gendrault, Jacques Haiech, Christophe Lallement, Marie-Claude Kilhoffer, Raoul Ranjeva |
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| Rok vydání: | 2014 |
| Předmět: |
Conformational change
Polynomial Theoretical computer science Calmodulin Allosteric model Allosteric regulation Ligands Humans Allostery Conformational isomerism Molecular Biology Binding model Induced fit Models Statistical biology Chemistry Binding polynomial Cell Biology Ligand (biochemistry) Kinetics Enzymology Biophysics biology.protein Calcium Adair–Klotz model Algorithms Allosteric Site Software Macromolecule Protein Binding |
| Zdroj: | Biochimica et Biophysica Acta (BBA) - Molecular Cell Research. 1843(10):2348-2355 |
| ISSN: | 0167-4889 |
| DOI: | 10.1016/j.bbamcr.2014.03.013 |
| Popis: | The interaction of a ligand with a macromolecule has been modeled following different theories. The tenants of the induced fit model consider that upon ligand binding, the protein–ligand complex undergoes a conformational change. In contrast, the allosteric model assumes that only one among different coexisting conformers of a given protein is suitable to bind the ligand optimally. In the present paper, we propose a general framework to model the binding of ligands to a macromolecule. Such framework built on the binding polynomial allows opening new ways to teach in a unified manner ligand binding, enzymology and receptor binding in pharmacology. Moreover, we have developed simple software that allows building the binding polynomial from the schematic description of the biological system under study. Taking calmodulin as a canonical example, we show here that the proposed tool allows the easy retrieval of previously experimental and computational reports. This article is part of a Special Issue entitled: Calcium Signaling in Health and Disease. Guest Editors: Geert Bultynck, Jacques Haiech, Claus W. Heizmann, Joachim Krebs, and Marc Moreau. |
| Databáze: | OpenAIRE |
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