Muthukumar Vidyalakshmi C
Department of Chemistry, University of Warwick, Coventry, UK.
J Biomol Struct Dyn. 2025 Feb;43(2):903-916. doi: 10.1080/07391102.2023.2287486. Epub 2023 Nov 28.
The FtsZ dimer was studied to gain insights into FtsZ protofilament formation. In the simulation study of the 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 FtsZ dimer was simulated. The initial structure was obtained from our previous study in which we had simulated the FtsZ monomer with its C-terminal IDR (Intrinsically Disordered Region). The 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.
研究FtsZ二聚体以深入了解FtsZ原丝的形成。在二聚体的模拟研究中发现，结合GDP的二聚体中单体与单体的接触较少，这导致结合GDP的原丝具有高曲率。在本研究中，对FtsZ二聚体进行了模拟。初始结构取自我们之前的研究，在该研究中我们模拟了具有C端内在无序区域（IDR）的FtsZ单体。FtsZ二聚体亚基接触被用作起始构型。用GTP和GDP对二聚体进行模拟。结果发现，与用GDP模拟相比，在GTP模拟中中央螺旋H5闭合约15度。发现C端IDR以及SC2和HC2之间的C端结构域区域具有很高的灵活性，因此表现出结构域运动。由拉马斯瓦米·H·萨尔马传达。
