Molecular dynamics study of the effect of Calcium Ions on the thermostability of Bacillus amyloliquefaciens Phytase

Noorbatcha, Ibrahim Ali and Sultan, A. M. and Amid, Azura and Mohd. Salleh, Hamzah (2011) Molecular dynamics study of the effect of Calcium Ions on the thermostability of Bacillus amyloliquefaciens Phytase. In: International Conference on Biotechnology Engineering, ICBioE’11, 17-19 May, 2011 , Kuala Lumpur.

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Abstract

Phytase is added to animal feeds to improve phosphorus absorption and reduce phosphorus excretion of swine and poultry. It hydrolyses phytate, which is a major form of storage of cereal grains and legumes in commercial animal feeds, into myo-inositol and inorganic phosphate. Adequate thermostability of phytase is necessary for field application as diets for swine and poultry are normally pelleted at high temperatures (60-80°C). In this study, Molecular Dynamics simulation (MD) was used to study the effect of calcium metal ions on the thermostability of Bacillus amyloliquefacience phytase. MD simulations of the enzyme with and without calcium ions were performed at 60°C and 80°C in water as the solvent medium, for duration of 2 ns. Root mean square deviations(RMSD) of backbone atoms are found to be lower in the presence of calcium ions at both the temperatures. In addition, RMSD values for individual residues of phytase at both calcium states and temperatures revealed that all residues that showed high RMSD values are located in turns or coils at the outer surface of the enzyme. As a result, these residues are the most susceptible to heating, hence produce high fluctuations.

Item Type:	Conference or Workshop Item (UNSPECIFIED)
Additional Information:	3704/3974
Uncontrolled Keywords:	Bacillus amyloliquefacience phytase, Molecular Dynamics, calcium ions, thermostablity, backbone fluctuations
Subjects:	T Technology > TP Chemical technology > TP248.13 Biotechnology
Kulliyyahs/Centres/Divisions/Institutes (Can select more than one option. Press CONTROL button):	Kulliyyah of Engineering > Department of Biotechnology Engineering
Depositing User:	Prof. Dr. Ibrahim Ali Noorbatcha
Date Deposited:	17 Oct 2011 12:24
Last Modified:	29 Jun 2021 10:22
URI:	http://irep.iium.edu.my/id/eprint/3974

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