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Insilico Studies on HA 33 Subunit of Haemagglutinin of Clostridium botulinum – Construction of Three Dimensional Model and Validation

by Nirmal Rajah. R, L. Rufus Auxilia
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International Journal of Computer Applications
Foundation of Computer Science (FCS), NY, USA
Volume 86 - Number 13
Year of Publication: 2014
Authors: Nirmal Rajah. R, L. Rufus Auxilia
10.5120/15044-3406

Nirmal Rajah. R, L. Rufus Auxilia . Insilico Studies on HA 33 Subunit of Haemagglutinin of Clostridium botulinum – Construction of Three Dimensional Model and Validation. International Journal of Computer Applications. 86, 13 ( January 2014), 15-19. DOI=10.5120/15044-3406

@article{ 10.5120/15044-3406,
author = { Nirmal Rajah. R, L. Rufus Auxilia },
title = { Insilico Studies on HA 33 Subunit of Haemagglutinin of Clostridium botulinum – Construction of Three Dimensional Model and Validation },
journal = { International Journal of Computer Applications },
issue_date = { January 2014 },
volume = { 86 },
number = { 13 },
month = { January },
year = { 2014 },
issn = { 0975-8887 },
pages = { 15-19 },
numpages = {9},
url = { https://ijcaonline.org/archives/volume86/number13/15044-3406/ },
doi = { 10.5120/15044-3406 },
publisher = {Foundation of Computer Science (FCS), NY, USA},
address = {New York, USA}
}
%0 Journal Article
%1 2024-02-06T22:04:07.262943+05:30
%A Nirmal Rajah. R
%A L. Rufus Auxilia
%T Insilico Studies on HA 33 Subunit of Haemagglutinin of Clostridium botulinum – Construction of Three Dimensional Model and Validation
%J International Journal of Computer Applications
%@ 0975-8887
%V 86
%N 13
%P 15-19
%D 2014
%I Foundation of Computer Science (FCS), NY, USA
Abstract

Botulinum neurotoxin (BoNT) complexes consist of neurotoxin and neurotoxin-associated proteins. The Clostridia releases these as protein aggregate, termed as the progenitor toxins. Heamagglutin – 33 (HA-33) plays an essential role in the agglutination activity of the botulinum progenitor toxin; it assists in binding and translocating the progenitor toxins through the alimentary epithelial barriers. A three-dimensional homology model of HA-33 is demonstrated in this paper based upon the crystal structure of HA1 subcomponent of botulinum type C progenitor toxin complexed with galactose. The three dimensional model was designed using MODELLER (9v11) a comparative modelling tool that built a model based on an alignment of a sequence of HA-33 based on the known structure of botulinum type C progenitor toxin complexed with N-acetylgalactosamine. The modelled structure was then evaluated using SAVES. The structural dynamics of the modelled protein was performed by elNemo and based on the scores obtained, it was found to be a reliable and accurate three dimensional structure of the Hemeagglutin component. It gives an idea about the three dimensional structure of a protein which will would serve as a guide to a detailed understanding of its participation in the process of agglutination. This could also aid in molecular drug designing against botulism.

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Index Terms

Computer Science
Information Sciences

Keywords

Clostridum botulinum homology modelling HA-33.

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