Investigation on Structural Prediction of Pectate Lyase Enzymes from Different Microbes and Comparative Docking Studies with Pectin: The Economical Waste from Food Industry
Swati Sudeshna Panda, Jyotirmayee Dey, Soumya Ranjan Mahapatra, G.S. Kushwaha, Namrata Misra, Mrutyunjay Suar, Mrinmoy Ghosh
Abstract
Waste from the fruit industry is the main source of pectin, which has a huge global market. Pectinolytic enzymes produced from bacteria have been widely used in the fruit and vegetable processing industry to break down pectic substances. Pectate lyase from mesophilic, thermophilic, and psychrophilic organisms are investigated using in-silico methods, as well as comparative docking with Pectin substrate are reported in this study, order to develop a permissive agent for agro-waste/food waste treatment. The total number of 18 bacterial protein sequences was chosen based on their potential for substantial uses in agro-waste treatment. Functional phylogenetic analysis revealed three distinct groups, each split by several maximum likelihoods. Motif elicitation among the selected Pectate lyase sequences revealed five motifs with widths ranging from 100 to 200. Physicochemical characterization indicates the low hydrophobic nature of Pectate lyase and the possibility of stability at a wide range of temperatures. Docking experiments Pectate lyase from Saccharophagus degradans showed stronger affinity for the substrate and better energy efficiency than Bacillus coagulans or Sphingopyxis bauzanensis. To summarize, we posited that pectate lyase from mesophilic bacteria might offer significant benefits over its counterparts. In fact, further experimentation is required to determine their effective usage in distinct food industries.