Prediction of 3D Structure of Paralytic Insecticidal Toxin (ITX-1) of Tegenaria agrestis (Hobo Spider)

A.G.Ingale and N.J.Chikhale

Abstract

Paralytic insecticidal toxin (ITX-1) (Tegenaria agrestis) involved multiple antigenic components to direct and empower the immune system to protect the host from infection. Spider peptide toxins with nanomolar affinities for their receptors are promising pharmacological tools for understanding the physiological role of ion channels and as leads for the development of novel therapeutic agents and strategies for ion channel-related diseases. A 3-dimensional model (3D) was developed for the Paralytic insecticidal toxin of the (ITX-1) of Tegenaria agrestis (Hobo spider). A homology modeling method was used for the prediction of the structure. For the modeling, a template protein was obtained by mGenTHERADER, namely the high-resolution X-ray crystallography structure of a FERREDOXIN (1FCA) of Clostridium acidurici. By comparing the template protein a rough model was constructed for the target protein using MODELLER, a program for comparative modelling. The model was validated using protein structure checking tools such as PROCHECK and WHAT IF for reliability. The information thus discussed provides insight to the molecular understanding of Paralytic insecticidal toxin (Tegenaria agrestis). The predicted 3-D model may be further used in characterizing the protein in wet laboratory.