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PubMed · 15783858

Protein structural change upon ligand binding: linear response theory.

Mitsunori Ikeguchi·Jiro Ueno·Miwa Sato·Akinori Kidera
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Abstract

A simple formula based on linear response theory is proposed to explain and predict the structural change of proteins upon ligand binding. By regarding ligand binding as an external perturbation, the structural change as a response is described by atomic fluctuations in the ligand-free form and the protein-ligand interactions. The results for three protein systems of various sizes are consistent with the observations in the crystal structures, confirming the validity of the linear relationship between the equilibrium fluctuations and the structural change upon ligand binding.

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Acetyl Coenzyme AAdenosine TriphosphateBinding SitesCitrate (si)-SynthaseFerric CompoundsIron-Binding ProteinsLigandsLinear ModelsModels, ChemicalModels, MolecularProtein BindingProtein ConformationProtein Structure, TertiaryProton-Translocating ATPasesJournal ArticleResearch Support, Non-U.S. Gov't

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Mitsunori Ikeguchi, Jiro Ueno, Miwa Sato, Akinori Kidera. 2005-02-24. Protein structural change upon ligand binding: linear response theory.. https://doi.org/10.1103/physrevlett.94.078102

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