Comparative Insilco functional, structural and phylogenetic characterization of plant Mn-Superoxide Dismutase

Abstract

AbstractThe environmental stress is jeopardizing the production as well as the survival of plants. This stress leads to the emergence of ROS, a toxic byproduct of several metabolic processes. To combat the ROS plant possess definite defense machinery, superoxide dismutase is one of the antioxidant enzymes responsible for effectively eradicating these ROS. Amongst several SOD, MnSOD is specialized in eliminating the ROS from mitochondria, a site for cellular energy production. In this study, the MnSOD from 16 plants was considered, and its physiochemical and structural properties were predicted using various computational tools. The physiochemical characterization reveals protein properties such as Mw, PI, AI, GRAVY, and II. The secondary structure and the motif analysis revealed these proteins’ functional characteristics. The 3D structure of several proteins was not available, so the SWISS model was used for the homology modeling. The quality of the predicted protein structures was verified using the Ramachandran Plot, VERIFY 3D, and PROCHECK under the SAVES server. These data would provide a foundation for structural and functional characterization of potential MnSOD yet to be characterized, which is expected to enhance the knowledge about its metal binding and catalytic efficiency for future applications.