INFLUENCE OF ANTIFREEZE PROTEINS ON LOCAL WATER STRUCTURE DYNAMICS IN PRESENCE OF OSMOLYTES

Antifreeze proteins are synthesized by various organisms to enable their cells to survive subzero environment in the arctic and polar regions. These proteins produce a difference between the melting and freezing points termed as thermal hysteresis. The main objective of this study is to examine the...

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Bibliographic Details
Main Author: ANAND NARAYANAN KRISHNAMOORTHY
Format: Article in Journal/Newspaper
Language:English
Published: Gdańsk University of Technology 2013
Subjects:
hydration dynamics
hydrogen bond lifetime
osmolytes
Kirkwood-Buff integral
preferential binding parameter
Information technology
T58.5-58.64
Arctic
Antarctic
Buff
Kirkwood
Antarc*
Online Access:https://doaj.org/article/9d20cc652e7547949b62d133f5bad877
Description
Summary:Antifreeze proteins are synthesized by various organisms to enable their cells to survive subzero environment in the arctic and polar regions. These proteins produce a difference between the melting and freezing points termed as thermal hysteresis. The main objective of this study is to examine the dynamics of water molecules and hydrogen bonds at the protein-water interface of antifreeze protein using atomistic molecular dynamics simulations using GROMACS. For this work a prototype of AFP (antifreeze protein) from antarctic notothenioids (ala-ala-thr repeats) and a mutant which is not antifreeze active were generated using PRODRG server. The hydration dynamics results revealed that the retarded water dynamics in the AFP compared to its mutant was responsible for the antifreeze activity. Furthermore a considerable increase in antifreeze activity were observed for the AFP in presence of osmolytes. The mechanism of action were tested using preferential binding parameter derived from Kirkwood-Buff integerals.

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