Assessment of structural and functional properties of Xpt complex protein to develop molecular approach in design of novel generation of pesticide

Little information is available about structural and functional characteristics of insecticidal Xpt protein complex. Awareness of the functional and binding domains is important to create new and more efficient gene constructs by eliminating unessential areas or put up functional domains adjacent to other proteins and produce new multi-functional toxins. Therefore, in this study the biological computing of this complex was done in order to acquiring data about the characteristics of its different areas. After extracting of this complex gene and protein sequences consist of XptA1, XptA2,XptB1 and XptC1 subunits from databases, structural and functional monitoring include physicochemical properties, topology, host range, secondary and three-dimensional structures was done by common softwares. The results reveal the secretion independent of signal peptides, domains related to insecticidal properties and other functions. Also functional domains BLAST leading to tracing broad spectrum of gram-negative bacteria with these sequences that up to now their ability in biocontrol not to be exist. Secondary structure indicates helix nature of functional area in XptA1 and XptA2 and strand of XptC1. Design and evaluation of three- dimensional structures report acceptable quality of all subunits except XptB1. In addition, the desirable functionality of XptC1 compared with other subunits in connection to actin was obtained. The results of this study reveal basic information of different areas of Xpt toxin complex that provides designing of new gene constructs based on synthetic biology.