Charge distribution & surface properties of the tobacco mosaic virus 4-NM central-pore

Nikolay I. Rodionov, Shalabh C. Maroo

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Abstract

The uniform distribution of charged amino acids along the exterior surface of the tobacco mosaic virus (TMV) along with its unusual structural stability over a large pH and temperature range has made it a model organism for inorganic deposition and nanostructure fabrication studies on biomolecules. However, the potential engineering applications of the virus's central pore, which is about 300 nm long and 4 nm in diameter, has been overlooked. We aim to expand TMV applications by understanding the surface characteristics of its central pore. We have identified the set of amino acids and atoms that create the surface of the pore, mapped the partial charge distribution of the pore using AMBER9 force fields, and determined the electrostatic potential of the pore surface through Coulomb's law and Poisson-Boltzmann Equation (PBE). Our analysis has revealed that the pore contains a dense helical distribution of negatively charged glutamic amino acid residues, which results in a strong negative electrostatic potential across the pore. This can potentially be used for water filtration by creating overlapping electric double layer within the central pore.

Original languageEnglish (US)
Title of host publicationASME 2012 International Mechanical Engineering Congress and Exposition, IMECE 2012
Pages15-20
Number of pages6
DOIs
StatePublished - Dec 1 2012
EventASME 2012 International Mechanical Engineering Congress and Exposition, IMECE 2012 - Houston, TX, United States
Duration: Nov 9 2012Nov 15 2012

Publication series

NameASME International Mechanical Engineering Congress and Exposition, Proceedings (IMECE)
Volume2

Other

OtherASME 2012 International Mechanical Engineering Congress and Exposition, IMECE 2012
CountryUnited States
CityHouston, TX
Period11/9/1211/15/12

ASJC Scopus subject areas

  • Mechanical Engineering

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