Biochemically realistic MD and kinetic models of the Rhodobacter sphaeroides bc1 complex

Bc1 complex;Mechanism;Kinetics;Membrane

Rose, Stuart Wallace

关键词: Bc1 complex;    Mechanism;    Kinetics;    Membrane;   

Others  :  https://www.ideals.illinois.edu/bitstream/handle/2142/97431/ROSE-DISSERTATION-2017.pdf?sequence=1&isAllowed=y

美国|英语

来源: The Illinois Digital Environment for Access to Learning and Scholarship

【 摘 要 】

This work seeks to duplicate a realistic membrane for a more natural model of the Rb. sphaeroides bc1 complex which in past studies has lacked several details in composition of the fatty acids and relative quantities of each lipid. Past studies have shown some distortion on MD relaxation relating to a large void volume in the protein structures. In this model we have set up the membrane with the complement of lipids reported for the chromatophore membrane, and have taken steps to ameliorate the structural distortions on relaxation of the protein by populating the void with a complement of lipids.The MD model is used to determine diffusion constants and motions of the system in preparation for calculating potentials of mean force for wild type and ISP tether mutants.The current kinetic model provides a kinetic and thermodynamic understanding of the rate-limiting reaction, and associated partial processes that lead to successive turnovers. Since both bacterial and mitochondrial complexes have essentially the same catalytic core, their mechanisms are essentially similar, and a better understanding of the bacterial system can be extrapolated to the context of mitochondrial function, and medically important roles in cellular physiology, cardiovascular disease, apoptosis, and diseases associated with aging.