3D Structure Determination and Validation of mTORC2 using Computational Modeling Techniques

As the mammalian target of rapamycin (mTOR) regulated pathway has been found most commonly activated and deregulated in cancer, so there is a need to understand the underlying mechanism of its key interacting proteins. Structural insights of proteins so far undiscovered will unravel these phenomenons. 3D structure of mTORC2 is built using several ab - initio protein structure prediction tools and homology modelling algorithm of Modeller. The quality and validation of the obtained models were accessed using Errat, PROSA and Qmean softwares while the Ramachandran plot was used to access the overall stereochemical properties of the proteins. The individual protein subunits were finally docked using HADDOCK webserver. This approach will aid in understanding the function of individual proteins and a step forward towards drug designing against cancer.