An in-silico glimpse into the pH dependent structural changes of T7 RNA polymerase: a protein with simplicity.

ABSTRACT: The capability of performing an array of functions with its single subunit structure makes T7 RNA polymerase (T7RNAP) as one of the simplest yet attractive target for various investigations ranging from structure determinations to several biological tests. In this study, with the help of molecular dynamics (MD) calculations and molecular docking, we investigated the effect of varying pH conditions on conformational flexibility of T7RNAP. We also studied its effect on the interactions with a well established inhibitor (heparin), substrate GTP and T7 promoter of T7RNAP. The simulation studies were validated with the help of three dimensional reconstructions of the polymerase at different pH environments using transmission electron microscopy and single particle analysis. On comparing the sim

SUBMITTER: Borkotoky S 

PROVIDER: S-EPMC5524818 | biostudies-literature | 2017 Jul

REPOSITORIES: biostudies-literature