Situs: A package for docking crystal structures into low-resolution maps from electron microscopy
Situs: A package for docking crystal structures into low-resolution maps from electron microscopy
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DOI：
10.1006/jsbi.1998.4080
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发表时间：
1999-04-01
影响因子：
3
通讯作者：
McCammon, JA
中科院分区：
文献类型：
--
作者：
Wriggers, W;Milligan, RA;McCammon, JA
大规模蛋白质聚集体的三维图像重建通常通过电子显微镜（EM）来确定。我们结合联合收割机低分辨率的EM数据与高分辨率的蛋白质结构确定的X射线晶体学。一组可视化和分析程序，被称为Situs包，已开发提供一个有效的和强大的方法，在低分辨率数据的蛋白质亚基的本地化。拓扑表示的神经网络被用来向量化和关联结构数据集内的特征。用驱动蛋白相关的ncd马达修饰的微管被用作模型聚集体来展示这个程序包的实用性。对接的精确度允许提取大分子的独特构象，并且仅受基础结构数据的可靠性的限制。(C)北京：科学出版社.
Three-dimensional image reconstructions of large-scale protein aggregates are routinely determined by electron microscopy (EM). We combine low-resolution EM data with high-resolution structures of proteins determined by x-ray crystallography. A set of visualization and analysis procedures, termed the Situs package, has been developed to provide an efficient and robust method for the localization of protein subunits in low-resolution data. Topology-representing neural networks are employed to vector-quantize and to correlate features within the structural data sets. Microtubules decorated with kinesin-related ncd motors are used as model aggregates to demonstrate the utility of this package of routines. The precision of the docking has allowed for the extraction of unique conformations of the macromolecules and is limited only by the reliability of the underlying structural data. (C) 1999 Academic Press.