Protein Dynamics in Electron Transfer
电子转移中的蛋白质动力学
基本信息
- 批准号:1157788
- 负责人:
- 金额:$ 98.02万
- 依托单位:
- 依托单位国家:美国
- 项目类别:Continuing Grant
- 财政年份:2012
- 资助国家:美国
- 起止时间:2012-03-01 至 2018-02-28
- 项目状态:已结题
- 来源:
- 关键词:
项目摘要
This project integrates molecular dynamic simulation and experimental measurement to develop a dynamic model for photosynthetic electron transfer in reaction centers of the purple nonsulfur bacterium, Rhodobacter sphaeroides. Current simulations on this system have suggested that the involvement of slow, collective protein modes in mediating these reactions is key, and as a result, the amount of reorganization energy available during a reaction is profoundly dependant on the time scale of the reaction, particularly as one moves from picoseconds to nanoseconds. Here, a theoretical group and an experimental group have joined forces to explore how proteins dynamics is involved to balance two competing electron transfer reactions that are critical to solar energy conversion in photosynthesis. The first is a productive electron transfer reaction that takes place on the 200 ps timescale from a bacteriopheophytin intermediate to a quinone. The second is the competing unproductive recombination reaction in which the electron returns back to the original electron donor on the 10-20 ns time scale. Simulations and measurements will be performed as a function of the driving force and temperature for these two reactions and compared directly, the goal being to understand how Nature has optimized protein structure and dynamics to promote productive photosynthetic function. A series of surface charge mutants and different pH's will be investigated, testing the concept that that the charge distribution at the protein/water interface controls the shape of the initial and final state potential surfaces, as suggested by simulation. In addition, internal mutations, thought to alter the displacement between potential surfaces, will also be investigated. The ultimate objective is to provide the capability to quantitatively predict biochemical reaction dynamics and associated function from protein structure in this complex biological system. The development of a quantitative, structure-based model of the relationship between structure, dynamics and function in the photosynthetic reaction center would be broadly valuable. The reaction center in this respect represents something of a "lab on a molecule" with high resolution structural data and the inherent optical probes for monitoring electron transfer in considerable detail. The project will support the development of a complete, participatory learning experience for the students in the Mesa High School Biotechnology Academy, based on genetic manipulation and spectroscopic probing of photosynthetic bacteria. This will involve both teacher training in the ASU laboratories during one summer and then PIs working directly with the teachers and students in the academy to perform the activity during the subsequent years. The PIs are very heavily involved in undergraduate mentoring having had 25 undergraduates in the lab during the last 5 years.
该项目将分子动力学模拟和实验测量相结合,开发紫色非硫细菌球形红细菌反应中心光合电子转移的动态模型。 目前对该系统的模拟表明,缓慢的集体蛋白质模式参与介导这些反应是关键,因此,反应过程中可用的重组能量很大程度上取决于反应的时间尺度,特别是当反应从皮秒转变为纳秒时。在这里,一个理论小组和一个实验小组联手探索蛋白质动力学如何平衡两个竞争的电子转移反应,这对光合作用中的太阳能转换至关重要。 第一个是在 200 ps 时间内发生的高效电子转移反应,从细菌脱镁叶绿素中间体到醌。 第二个是竞争性非生产性复合反应,其中电子在 10-20 ns 时间尺度内返回到原始电子供体。 模拟和测量将作为这两个反应的驱动力和温度的函数进行,并直接进行比较,目的是了解大自然如何优化蛋白质结构和动力学以促进高效的光合作用功能。 将研究一系列表面电荷突变体和不同的 pH 值,测试蛋白质/水界面上的电荷分布控制初始和最终状态电势表面形状的概念,如模拟所示。 此外,还将研究被认为会改变潜在表面之间位移的内部突变。最终目标是提供从这个复杂生物系统中的蛋白质结构定量预测生化反应动力学和相关功能的能力。 开发光合反应中心结构、动力学和功能之间关系的定量、基于结构的模型将具有广泛的价值。 在这方面,反应中心相当于一个“分子实验室”,具有高分辨率结构数据和用于详细监测电子转移的固有光学探针。该项目将为梅萨高中生物技术学院的学生提供基于基因操作和光合细菌光谱探测的完整的、参与式的学习体验。 这将涉及在一个夏天在亚利桑那州立大学实验室进行教师培训,然后由 PI 直接与学院的教师和学生合作,在随后的几年中开展这项活动。 PI 积极参与本科生指导工作,在过去 5 年里实验室里有 25 名本科生。
项目成果
期刊论文数量(0)
专著数量(0)
科研奖励数量(0)
会议论文数量(0)
专利数量(0)
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Neal Woodbury其他文献
Quantum Dot-based Fluorescence Resonance Energy Transfer through Exciton Dynamics in DNA-Templated J-Aggregates
- DOI:
10.1016/j.bpj.2017.11.2857 - 发表时间:
2018-02-02 - 期刊:
- 影响因子:
- 作者:
Sarthak Mandal;Xu Zhou;Nour Eddine Fahmi;Su Lin;Hao Yan;Neal Woodbury - 通讯作者:
Neal Woodbury
Orchestrating Cloud-supported Workspaces for a Computational Biochemistry Course at Large Scale
为大规模计算生物化学课程编排云支持的工作空间
- DOI:
10.22369/issn.2153-4136/14/2/7 - 发表时间:
2023 - 期刊:
- 影响因子:0
- 作者:
Gil Speyer;Neal Woodbury;Arun Neelicattu;Aaron Peterson;Greg Schwimer;George Slessman - 通讯作者:
George Slessman
Neal Woodbury的其他文献
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{{ truncateString('Neal Woodbury', 18)}}的其他基金
Prevalence of Immune Response for Ebola in the Endemic Populations
流行人群中埃博拉免疫反应的发生率
- 批准号:
1518528 - 财政年份:2014
- 资助金额:
$ 98.02万 - 项目类别:
Standard Grant
INSPIRE: Mimicking the Functional Complexity of Biology with Man-Made Systems
INSPIRE:用人造系统模仿生物学的功能复杂性
- 批准号:
1243082 - 财政年份:2012
- 资助金额:
$ 98.02万 - 项目类别:
Standard Grant
The Assembly of Photosynthetic Light-Harvesting Complexes in Whole Cells
全细胞中光合光捕获复合物的组装
- 批准号:
1057827 - 财政年份:2011
- 资助金额:
$ 98.02万 - 项目类别:
Standard Grant
Enzymology of multi-enzyme systems on self-assembled surfaces
自组装表面多酶系统的酶学
- 批准号:
1033222 - 财政年份:2010
- 资助金额:
$ 98.02万 - 项目类别:
Standard Grant
The Topology of Peptide/Protein Interaction Space
肽/蛋白质相互作用空间的拓扑
- 批准号:
0940914 - 财政年份:2009
- 资助金额:
$ 98.02万 - 项目类别:
Standard Grant
Protein Control of Electron Transfer Pathways in Photosynthesis
光合作用中电子传递途径的蛋白质控制
- 批准号:
0642260 - 财政年份:2007
- 资助金额:
$ 98.02万 - 项目类别:
Continuing Grant
"SGER: Merging Single Molecule Spectroscopy and Molecular Simulation".
“SGER:合并单分子光谱学和分子模拟”。
- 批准号:
0631631 - 财政年份:2006
- 资助金额:
$ 98.02万 - 项目类别:
Standard Grant
Characterization of DNA/Protein Interactions at the Single Molecule Level
单分子水平 DNA/蛋白质相互作用的表征
- 批准号:
0239986 - 财政年份:2003
- 资助金额:
$ 98.02万 - 项目类别:
Continuing Grant
Controlling the Pathway of Electron Transfer in Bacterial Reaction Centers
控制细菌反应中心的电子转移途径
- 批准号:
0131776 - 财政年份:2002
- 资助金额:
$ 98.02万 - 项目类别:
Continuing Grant
IGERT: Optical Biomolecular Devices: From Natural Paradigms to Practical Applications
IGERT:光学生物分子器件:从自然范例到实际应用
- 批准号:
0114434 - 财政年份:2001
- 资助金额:
$ 98.02万 - 项目类别:
Continuing Grant
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通过离子铣削制备蛋白质晶体薄膜,用于血红素和细菌视紫红质超快结构动力学的飞秒电子衍射研究
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