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Prediction of Lysine Acetylation Sites in Porcine Pancreas Lipase Modified by the Ionic Liquids Using Molecular Dynamics Simulations

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Advances in Applied Biotechnology

Part of the book series: Lecture Notes in Electrical Engineering ((LNEE,volume 333))

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Abstract

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The molecular dynamics (MD) simulations method was used to study the lysine acetylation sites of Porcine Pancreas lipase (PPL) modified by ionic liquids [HOOCBMIm][Cl] and [HOOCMMIm][Cl]. By analyzing the effects impacting on the difficulty of lysine modifications upon different sites, including the solvent-accessible surface area, hydrogen bonds, and salt-bridges, a prediction model was achieved. The prediction acquired the exact number of modified lysine (4 and 9 respectively) and the specific modification sites in the ionic liquids [HOOCBMIm][Cl] and [HOOCMMIm][Cl] modification systems, respectively, which are consistent with the results of our previous studies.

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Acknowledgments

This research was supported by the National Science Foundation for Distinguished Young Scholars of China (No. 21225626), the Hi-Tech Research and Development Program of China (863 Program, 2011AA02A209), the National Natural Science Foundation of China for Young Scholars (Grant No. 21106064), the National Basic Research Program of China (2011CB710800).

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Authors and Affiliations

  1. State Key Laboratory of Material-Oriented Chemical Engineering, Nanjing Tech University, Nanjing, 210009, China

    Yi-Gang Jia, Yang Zhang, Hong-Man Zhang, He Huang & Yi Hu

  2. New World Biotechnology Institute, State Key Laboratory of Bioreactor Engineering, East China University of Science and Technology, Shanghai, 200237, China

    Lu-Jia Zhang

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  1. Yi-Gang Jia
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  2. Yang Zhang
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  3. Hong-Man Zhang
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  4. He Huang
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Correspondence to Lu-Jia Zhang or Yi Hu .

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Editors and Affiliations

  1. Tianjin University of Science and Technology, Tianjin, China

    Tong-Cun Zhang

  2. SBI ALApromo, Tokyo, Japan

    Motowo Nakajima

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Jia, YG., Zhang, Y., Zhang, HM., Huang, H., Zhang, LJ., Hu, Y. (2015). Prediction of Lysine Acetylation Sites in Porcine Pancreas Lipase Modified by the Ionic Liquids Using Molecular Dynamics Simulations. In: Zhang, TC., Nakajima, M. (eds) Advances in Applied Biotechnology. Lecture Notes in Electrical Engineering, vol 333. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-662-46318-5_39

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