The dynamics of Escherichia coli FtsZ dimer

Abstract

The E. coli FtsZ dimer was studied to gain insights into FtsZ protofilament formation. In the simulation study of the M. janaschii dimer it was found that the monomer-monomer contacts in the GDP bound dimer is lower which results in the high curvature of the GDP bound protofilaments. In this study, the E. coli FtsZ dimer was simulated. The initial structure was obtained from our previous study in which we had simulated the E. coli FtsZ monomer with its C-terminal IDR (Intrinsically Disordered Region). The M. janaschii FtsZ dimer subunit contacts were used as the starting configuration. Simulations of the dimer were performed with GTP and with GDP. It is found that the central helix H5 closes by about 15 degrees in the simulation with GTP than in the simulation with GDP. The C-terminal IDR and the C-terminal domain region between SC2 and HC2 are found to have much high flexibility and hence exhibit domain motion. Communicated by Ramaswamy H. Sarma