Quantifying the Intrinsic Conformation Energy Landscape Topography of Proteins with Large-Scale Open-Closed Transition

ACS Central Science
Wen-Ting Chu, Jin Wang

Abstract

Large-scale conformational changes of proteins, including the open-closed transitions, are crucial for a variety of protein functions. These open-closed transitions are often associated with ligand binding. However, the understandings of the underlying mechanisms of the conformational changes within proteins during the open-closed transitions are still challenging at present. In this study, we quantified the intrinsic underlying conformational energy landscapes of five different proteins with large-scale open-closed transitions. This is realized by exploring the underlying density of states and the intrinsic conformational energy landscape topography measure Λ. Λ is a dimensionless ratio of conformational energy gap δE versus conformational energy roughness δE and configurational entropy S or size of the intrinsic conformational energy landscape. By quantifying the Λ of intrinsic open-closed conformational (Λoc) and intrinsic global folding (Λglobal) energy landscapes, we show that both intrinsic open-closed conformation energy and entropy landscapes are funneled toward the closed state. Furthermore, our results indicate the strong correlations between Λ and thermodynamics (conformational state transition temperature against tr...Continue Reading

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Sep 1, 2017·Proceedings of the National Academy of Sciences of the United States of America·Wen-Ting ChuJin Wang

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Citations

May 25, 2020·Biotechnology and Applied Biochemistry·Anil Bhattarai, Isaac Arnold Emerson
Mar 4, 2020·Proceedings of the National Academy of Sciences of the United States of America·Wen-Ting ChuJin Wang
Apr 6, 2021·The Journal of Physical Chemistry. B·Soundhararajan GopiAthi N Naganathan
Nov 10, 2021·Reports on Progress in Physics·Wen-Ting ChuJin Wang

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Methods Mentioned

BETA
X-ray
protein folding
FRET

Software Mentioned

frustratometer

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