Hierarchical analysis of promolecular full electron-density distributions: description of protein structure fragments.

Leherte L

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Hierarchical analysis of promolecular full electron-density distributions: description of protein structure fragments.

机译：层次分析promolecular满电子密度分布:描述蛋白质结构片段。

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A theoretical method is applied to describe protein structures in terms of hierarchically related substructures. The approach is based on the location of local maxima (peaks) in promolecular electron-density (ED) distributions established at various smoothing levels. Promolecular ED distributions are generated using either the Promolecular Atom Shell Approximation (PASA) representation or the ED are calculated using the Cromer-Mann coefficients. The analysis of the decomposition patterns of a protein structure in its native and hypothetical extended conformations showed that the amino-acid residues have a similar decomposition pattern regardless of their position in the protein sequence, the protein conformation and the influence of the crystal packing. A link is proposed with model-building tools in protein structure determination from diffraction data.

机译：一个理论方法应用于描述蛋白质结构的层级相关的子结构。局部极大值的位置(峰值)promolecular电子密度(ED)分布建立在不同的平滑的水平。Promolecular ED分布生成的使用要么Promolecular原子壳层近似或计算ED (PASA)表示使用Cromer-Mann系数。蛋白质的分解模式结构在本土和假想的扩展构象表明氨基酸残基有类似的分解模式不管吗蛋白质序列,他们的立场的蛋白质构象的影响水晶包装。在蛋白质结构模型工具决心从衍射数据。

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来源
《Acta crystallographica.Section D. Biological crystallography》 |2004年第7期|1254-1265|共12页
作者
Leherte L;
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作者单位

Laboratoire de Physico-Chimie Informatique, Facultes Universitaires Notre-dame de la Paix, Rue de Bruxelles 61, B5000 Namur, Belgium.;

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原文格式 PDF
正文语种英语
中图分类化学;
关键词
Protein Structure; Protein Conformation; Electron density;

机译：蛋白质结构,蛋白质构象;电子密度;

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Hierarchical analysis of promolecular full electron-density distributions: description of protein structure fragments.

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