Molecular modelling of epitope presentation using membrane protein OmpC
Sujatha, S.; Arockiasamy, A.; Krishnaswamy, S.; Usha, R.
Indian Journal of Biochemistry and Biophysics 38(5): 294-297
2001
ISSN/ISBN: 0301-1208 PMID: 11886075 Document Number: 537998
Three-dimensional models of the chimeric S. typhi OmpC protein carrying an epitope from rotavirus VP4 capsid protein on either of two exposed loops (fourth and sixth) were constructed separately, using computer-aided homology modelling. The theoretical model of S. typhi OmpC was used as a template. The monomers were initially energy minimized. The trimers were generated for both the chimeric S. typhi OmpC proteins and the structures were optimized after several cycles of minimization. The surface accessibility calculations for the resulting models show that epitope recognition should be more effective in the fourth loop than in the sixth loop, in accordance with the experimental results on the immunogenic nature of the rotaviral epitope inserted into the two putative loops of S. typhi OmpC.