Molecular dynamics simulation of the adenylylsulphate reductase from hyperthermophilic Archaeoglobus fulgidus

作者：dos Santos Elias S; Gritta Dermeval S; Taft Carlton A^*; Almeida Paulo F; Ramos de Souza Elias

来源：Molecular Simulation, 2010, 36(3): 199-203.

DOI：10.1080/08927020903177658

• molecular dynamics
• APS reductase
• energy

The biogenic production of sulphide gas by sulphate-reducing bacteria (SRB) causes serious economic problems for the natural gas and oil industry. Due to their corrosive properties, biofilms produced by SRB create issues during all steps of oil and gas recovery, from early in production to storage, including increased risk of toxic oil spills and health risk to workers in the oil field and to the population living around the area of extraction. SRB are unique among micro-organisms in their ability to utilise sulphate as an electron acceptor. One of the key enzymes important in this biological process is adenosine phosphosulphate reductase (APS reductase). This article aims to discuss the structure and dynamic properties of APS reductase through computer-generated simulations using molecular dynamics.

• 出版日期2010