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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.

References
  1. Bowie, J. U. , Luthy, R. , and Eisenberg,D. (1991). A method to identify protein sequences that fold into a known three dimensional structure. Science. 253(5016) 164-170
  2. Chothia,C and Lesk, A. M( 1986). The relation between the divergence of sequence and structure in proteins . EMBO journal 5, 823-826.
  3. Colovos, C and Yeates, T. O. (1993). Verification of protein structure: patterns of non – bonded atomic interactions. Protein Science. 2(9):1511- 1519.
  4. Epstein , C. J. , Goldberger, R. F and Anfinsen , C. B ( 1963). The genetic control of tertiary protein structure: studies with model systems. Cold Spring Harbor Symposium on Quantitative Biology. 28: 439-444.
  5. Gasteiger,E. , Hoogland,C. , Gattiker,A. , Duvaud,s. , Willkins, M. r. , Appel, R. D. , and Bairoch,A. Protein identification and analysis tools on the Expasy server. John Walker(ed)
  6. Geourjon, C and Deleage, G (1995). SOPMA: Significant improvement in protein secondary structure prediction. CABIOS. 11,681-684.
  7. Guruprasad K, Reddy BVP, Pandit MW (1990). Correlation between stability of a protein and its dipeptide composition: a novel approach for predicting in vivo stability of a protein from its primary sequence. Protein engineering 4: 155-164.
  8. Harry. B. Hines, Frank Lebeda, Martha Hale andErnstE. Bruggermann. (2005). Characterization of Botulinum progenitor toxins by Mass Spectrometry. Applied and Environmental Microbiology. 71(8): 4473-4486.
  9. Hooft,R. W. W. , Sander,C. , Vriend,G. and Abola,E. (1996a) Errors in protein structures. Nature, 381, 272.
  10. Inoue, K. , Y. Fujinaga, K. Honke, H. Arimitsu, N. Mahmut, Y. Sakaguchi, T. Ohyama, T. Watanabe, K. Inoue, and K. Oguma. 2001. Clostridium botulinum type A haemagglutinin-positive progenitor toxin (HA+-PTX) binds to oligosaccharides containing Gal?1-4GlcNAc through one subcomponent of haemagglutinin (HA1). Microbiology 147:811-819.
  11. Kimiko Hasegawa, Toshihiro Watanabe, Tomonori Suzuki, Akihito Yamano, Tetsuo Oikawa, Yasuhiko Sato, Hirokazu Kouguchi, Tohru Yoneyama, Koichi Niwa, Toshihiko Ikeda and Tohru Ohyama (2007). A novel subunit structure of Clostridium botulinum serotype D toxin complex with three extended arms. Journal of Biological Chemistry. 282 :24777- 24783.
  12. Koteswara Reddy, G. , Mohan Kalyan Reddy, K. , Nagamalleswara Rao, K and Gyana R. Satpathy . Comparative modelling of CDP- diacyl glycerol- serine o- Phosphatidyl transferase in Clostridium botulinum: A potent target of botulism. International journal of Drug Discovery. 2 (2): 11-16.
  13. Lipman, D. J and Pearson, W. R (1985). Rapid and sensitive protein similarity searches. Science. 227, 1435-1441.
  14. Luthy,R. , Bowie,J. U. , and Einsenberg,D. (1992). Assessment of protein models with three dimensional profiles. Nature. 356(6364): 83-85.
  15. Nakamura, T. , Tonozuka, T. , Ito, S. , Takeda, Y. , Sato, R. , Matsuo, I. , Ito, Y. , Oguma, K. , Nishikawa, A. ( 2011) Molecular diversity of the two sugar-binding sites of the ?-trefoil lectin HA33/C (HA1) from Clostridium botulinum type C neurotoxin Arch. Biochem. Biophys. 512: 69-77
  16. Ramachandran,G. N. ,Ramakrishana,C. , and Sasisekharan,V. (1963). Stereochemistry of polypeptide chain configurations. Journal of Molecular biology. 7, 95-99.
  17. Sagane, Y. , Koguchi,H. , Watanabe,T. , Sunagawa,H. , Inoue,K. , Fujinaga, Y. , Oguma,K. , and Ohyama,T. (2001). Role of c termainal region, of HA-33 component of botulinum toxin in hemagglutination. Biochemical and Biophysical Research Communication. 288, 650-657.
  18. Sahay A, Shakya M (2010) In silico Analysis and Homology Modelling of Antioxidant Proteins of Spinach. J Proteomics Bioinform 3: 148-154. doi:10. 4172/jpb. 1000134
  19. Sali A & T. L. Blundell. Comparative protein modelling by satisfaction of spatial restraints. J. Mol. Biol. 234, 779-815, 1993.
  20. Sander,C and Schneider,R ( 1991). Database of homology derived protein structures and the structural meaning of sequence alignment. Proteins : Structure, Function and Bioinformatics 9(1):56-68.
  21. Suhre. K & Y. H. Sanejouand, ElNemo: a normal mode web-server for protein movement analysis and the generation of templates for molecular replacement. Nucleic Acids Research, 32, W610-W614, 2004.
  22. Yukako Fujinaga, Kaoru Inoue, Sadahiro Watanabe, Kenji Yokota, Yoshikazu Hirai, Eiko Nagamachi and Keiji Oguma (1997). The haemagglutinin of Clostridium botulinum type C progenitor toxin plays an essential role in binding of toxin to the epithelial cells of guinea pig small intestine, leading to the efficient absorption of the toxin. Microbiology . 143, 3841-3847
Index Terms

Computer Science
Information Sciences

Keywords

Clostridum botulinum homology modelling HA-33.

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