Prediction of lysine acetylation sites in Porcine pancreas lipase modified by the ionic liquids using molecular dynamics simulations

Yi Gang Jia, Yang Zhang, Hong Man Zhang, He Huang, Lu Jia Zhang, Yi Hu

Research output: Chapter in Book/Report/Conference proceedingConference contributionpeer-review

1 Scopus citations

Abstract

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 solventaccessible 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.

Original languageEnglish
Title of host publicationAdvances in Applied Biotechnology - Proceedings of the 2nd International Conference on Applied Biotechnology, ICAB 2014
EditorsMotowo Nakajima, Tong-Cun Zhang
PublisherSpringer Verlag
Pages365-379
Number of pages15
ISBN (Print)9783662463178
DOIs
StatePublished - 2015
Event2nd International Conference on Applied Biotechnology, ICAB 2014 - Tianjin, China
Duration: 28 Nov 201430 Nov 2014

Publication series

NameLecture Notes in Electrical Engineering
Volume333
ISSN (Print)1876-1100
ISSN (Electronic)1876-1119

Conference

Conference2nd International Conference on Applied Biotechnology, ICAB 2014
Country/TerritoryChina
CityTianjin
Period28/11/1430/11/14

Keywords

  • Ionic liquids modification
  • Lysine acetylation sites
  • Molecular dynamics simulation
  • Porcine pancreas lipase
  • Solvent-accessible surface area

Fingerprint

Dive into the research topics of 'Prediction of lysine acetylation sites in Porcine pancreas lipase modified by the ionic liquids using molecular dynamics simulations'. Together they form a unique fingerprint.

Cite this