Prediction of Secondary And Tertiary Structure And Docking of Rb1WT And Rb1R661W Proteins

Abstract

Retinoblastoma, a malignancy occurring in the juvenile cells of retina, responsible for the light detection. It is one of the most emerging and rare childhood and infant cancer. It is initiated by the mutation in Rb1 a first tumor suppressor gene located on chromosome 13q14. Rb1 protein is responsible for cell cycle regulation. In our study, secondary and 3D-Structural prediction of Rb1WT and Rb1R661W were done by comparative or homology modeling for finding any structural change leading to the disruption in its further interactions. Quality assurance of the structures was done by Ramachandran Plot for a stable structure. Both the proteins were then applied by docking process with proteins of interest. Secondary Structure showed number of mutations in helixes, β-Hairpins of Rb1R661W. The major change was lost of β-Hairpin loop, extension and shortening of helixes. 3D comparison structure showed change in the groove of Rb1R661W. Docking results unlike to RB1WT were having different and also no interactions with some of the proteins of interest. This mutation in Rb1 protein was having a deleterious effect on the protein functionality. This study will help in designing the appropriate therapy and also understanding of mechanism of disease of retinoblastoma, for researchers and pharmaceuticals.