Alber Frank, Kim Michael F, Sali Andrej
Department of Biopharmaceutical Sciences and, California Institute for Quantitative Biomedical Research, University of California, San Francisco, San Francisco, California 94143, USA.
Structure. 2005 Mar;13(3):435-45. doi: 10.1016/j.str.2005.01.013.
We suggest structure characterization of macromolecular assemblies by combining assembly shape determined by electron cyromicroscopy with information about subunit proximity determined by affinity purification. To achieve this aim, structure characterization is expressed as a problem in satisfaction of spatial restraints that (1) represents subunits as spheres, (2) encodes information about the subunit excluded volume, assembly shape, and pulldowns in a scoring function, and (3) finds subunit configurations that satisfy the input restraints by an optimization of the scoring function. Testing of the approach with model systems suggests its feasibility.
我们建议通过将电子冷冻显微镜确定的组装体形状与亲和纯化确定的亚基接近度信息相结合，来对大分子组装体进行结构表征。为实现这一目标，结构表征被表述为一个满足空间限制的问题，该问题（1）将亚基表示为球体，（2）在评分函数中编码有关亚基排除体积、组装体形状和下拉实验的信息，以及（3）通过优化评分函数来找到满足输入限制的亚基构型。用模型系统对该方法进行测试表明了其可行性。
