Computational Studies of Mycorrhizal Protein: GiHsp60 and Its Interaction With Soil Organic Matter

This study uses homology modelling and molecular docking approaches to explore the binding mechanism of glomalin-related soil protein from Rhizophagus irregularis (GiHsp60) with soil organic matter (SOM) and the role played by soil protein in the sequestration of common soil pollutants. Conserved domain analysis reveals that GiHsp60 belongs to chaperonin-like super-family having binding sites for ATP/Mg²⁺. Three-dimensional model of GiHsp60 was reasonably good based on reports generated by different validation servers. Docking results suggest that Van der Waals force is primarily responsible for the interaction between GiHsp60 and SOM. The study also reveals the role played by GiHsp60 in the sequestration of dif-ferent soil pollutants.