SIMULATING A BACTERIAL ORGANELLE: THE PHOTOSYNTHETIC CHROMATOPHORE

模拟细菌细胞器：光合色素细胞

• 批准号: 7601256
• 负责人: DARRELL P CHANDLER
• 金额: $ 4.13万
• 依托单位: UNIVERSITY OF ILLINOIS AT URBANA-CHAMPAIGN
• 依托单位国家: 美国
• 财政年份: 2007
• 资助国家: 美国
• 起止时间: 2007-08-15 至 2008-07-31
• 项目状态: 已结题
• 来源: https://reporter.nih.gov/project-details/7601256
• 关键词: Bioenergetics; Carotenoids; Cell physiology; Cereals; Chlorophyll; Chromatophore; Complex; Computer Retrieval of Information on Scientific Projects Database; Cytochromes; Development; Funding; Grant; Harvest; Institution; Life; Light; Lipids; Membrane; Organelles; Photosynthesis; Photosynthetic Reaction Centers; Process; Proteins; Proteobacteria; Research; Research Personnel; Resources; Rhodobacter sphaeroides; Simulate; Source; Sunlight; System; Testing; United States National Institutes of Health; nanoscale; simulation; tool

This subproject is one of many research subprojects utilizing the resources provided by a Center grant funded by NIH/NCRR. The subproject and investigator (PI) may have received primary funding from another NIH source, and thus could be represented in other CRISP entries. The institution listed is for the Center, which is not necessarily the institution for the investigator. Photosynthesis is the bioenergetic process by which the majority of Earths biosphere derives energy from sunlight. This efficient sub-cellular process depends on the complex organization of the photosynthetic unit (PSU) at multiple scales spanning from sub-nanoscale atomic processes to macroscale multi-protein and lipid assemblies that are integral components of PSU organelles. One such organelle found in the purple bacterium Rhodobacter sphaeroides is the chromatophore, a 70 nm wide bulbous invagination of the inner membrane containing a total of approximately 200 proteins, 5,000 chlorophylls, and 1,700 carotenoids that permit efficient photosynthesis. These 200 chromatophore proteins consist of several multi-protein complexes, including 20 photosynthetic reaction centers (RC) [1, 2], 20 light harvesting complexes 1 (LH1) [3, 4], 150 light harvesting complexes 2 (LH2) [5, 6], five bc1 complexes (bc1) [7] and cytochrome c2s [8], and usually one ATP synthase [9]. Involving 70 million atoms, continued development of coarse-graining tools and the extension of VMD and NAMD capabilities will be necessary to accommodate such a large system computationally. Representing one of the first simulations at the near-cellular level, the chromatophore system will also strenuously test the scalability of VMD and NAMD while providing unique opportunities to investigate one of the most fundamental processes necessary for life on Earth, namely the conversion of light into bioenergy.

该子项目是利用该技术的众多研究子项目之一 资源由 NIH/NCRR 资助的中心拨款提供。子项目和 研究者 (PI) 可能已从 NIH 的另一个来源获得主要资金， 因此可以在其他 CRISP 条目中表示。列出的机构是 对于中心来说，它不一定是研究者的机构。 光合作用是地球生物圈大部分从阳光中获取能量的生物能过程。这种有效的亚细胞过程取决于光合单位 (PSU) 在多个尺度上的复杂组织，从亚纳米级原子过程到宏观尺度的多蛋白质和脂质组装体，这些都是 PSU 细胞器的组成部分。 在紫色细菌球形红杆菌中发现的一种这样的细胞器是色素细胞，它是一种 70 nm 宽的球状内膜内陷，总共含有大约 200 种蛋白质、5,000 种叶绿素和 1,700 种类胡萝卜素，可以进行有效的光合作用。 这 200 个色素蛋白由多种多蛋白复合物组成，包括 20 个光合反应中心 (RC) [1, 2]、20 个光捕获复合物 1 (LH1) [3, 4]、150 个光捕获复合物 2 (LH2) [5, 6]、5 个 bc1 复合物 (bc1) [7] 和细胞色素 c2s [8]，通常还有一种 ATP 合酶[9]。 涉及 7000 万个原子，需要继续开发粗粒度工具以及扩展 VMD 和 NAMD 功能，才能在计算上容纳如此庞大的系统。 作为近细胞水平的首批模拟之一，色素系统还将严格测试 VMD 和 NAMD 的可扩展性，同时提供独特的机会来研究地球上生命所必需的最基本过程之一，即光转化为生物能。