Predicting and Interpreting the Structure of Type IV Pilus of Electricigens by Molecular Dynamics Simulations.

ABSTRACT: Nanowires that transfer electrons to extracellular acceptors are important in organic matter degradation and nutrient cycling in the environment. Geobacter pili of the group of Type IV pilus are regarded as nanowire-like biological structures. However, determination of the structure of pili remains challenging due to the insolubility of monomers, presence of surface appendages, heterogeneity of the assembly, and low-resolution of electron microscopy techniques. Our previous study provided a method to predict structures for Type IV pili. In this work, we improved on our previous method using molecular dynamics simulations to optimize structures of Neisseria gonorrhoeae (GC), Neisseria meningitidis and Geobacter uraniireducens pilus. Comparison between the predicted structures for GC and Nei

SUBMITTER: Shu C 

PROVIDER: S-EPMC6152092 | biostudies-literature | 2017 Aug

REPOSITORIES: biostudies-literature