Research Article

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
journal cover
International Journal of Computer Applications
Foundation of Computer Science (FCS), NY, USA
Volume 86 - Issue 13
Published: January 2014
Authors: Nirmal Rajah. R, L. Rufus Auxilia
10.5120/15044-3406
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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 },
                        year    = { 2014 },
                        volume  = { 86 },
                        number  = { 13 },
                        pages   = { 15-19 },
                        doi     = { 10.5120/15044-3406 },
                        publisher = { Foundation of Computer Science (FCS), NY, USA }
                        }
                        %0 Journal Article
                        %D 2014
                        %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%T 
                        %J International Journal of Computer Applications
                        %V 86
                        %N 13
                        %P 15-19
                        %R 10.5120/15044-3406
                        %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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Computer Science
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Keywords

Clostridum botulinum homology modelling HA-33.

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