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Temperature adaptation analysis of a psychrophilic mannanase through structural, functional and molecular dynamics simulation

Parvizpour, Sepideh and Razmara, Jafar and Shamsir, Mohd. Shahir (2018) Temperature adaptation analysis of a psychrophilic mannanase through structural, functional and molecular dynamics simulation. Molecular Simulation, 44 (15). pp. 1270-1277. ISSN 0892-7022

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Official URL: https://doi.org/10.1080/08927022.2018.1492721

Abstract

The present paper reports structure prediction and analysis of a psychrophilic β-mannanase from Glaciozyma antarctica PI12 yeast. A threading method was used for 3D structure prediction of the enzyme using the MODELLER 9v12 program regarding its low sequence identity (<30%). The constructed model has been used in a comparative study to analyse its cold adaptation mechanism using other mesophilic, thermophilic, and hyperthermophilic mannanases. The structural and molecular dynamics analysis suggests that flexibility of the enzyme is increased through different structural characteristics, and therefore, the possibility of efficient catalytic reactions is provided at cold environment. These characteristics are the presence of longer loops, broken or shorter strands and helices, a lower number of salt bridges and hydrogen bonds, a higher exposure of the hydrophobic side chains to the solvent and an increased total solvent accessible surface area. Furthermore, the high catalytic efficiency and structural flexibility of the psychrophilic mannanase was supported by the results of principal component analysis.

Item Type:Article
Uncontrolled Keywords:cold adaptability, β-mannanase
Subjects:T Technology > TP Chemical technology
Divisions:Biosciences and Medical Engineering
ID Code:84269
Deposited By: Siti Nor Hashidah Zakaria
Deposited On:16 Dec 2019 11:22
Last Modified:16 Dec 2019 11:22

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