Delineation of protein structure classes from multivariate analysis of protein Raman optical activity data.
Delineation of protein structure classes from multivariate analysis of protein Raman optical activity data.
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从蛋白质拉曼光学活性数据的多变量分析中描述蛋白质结构类别。
DOI：
10.1016/j.jmb.2006.08.038
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发表时间：
2006
影响因子：
5.6
通讯作者：
L. Barron
中科院分区：
文献类型：
--
作者：
F. Zhu;G. Tranter;N. Isaacs;L. Hecht;L. Barron
振动拉曼旋光度 (ROA) 是测量左右圆偏振入射光中手性分子拉曼散射强度的微小差异，或散射光中小圆偏振分量的强度，是蛋白质水溶液结构的有力探针。由于蛋白质 ROA 光谱中存在大量结构敏感带，非线性作图 (NLM) 等多元分析技术特别有利于确定不同蛋白质之间的结构关系。这里，NLM 用于将 80 个多肽、蛋白质和病毒 ROA 光谱的数据集（被视为多维空间中的点，轴代表数字化波数）映射到易于可视化的二维和三维空间，其中彼此靠近或远离的点分别代表相似或不相似的结构。观察到对应于七个结构类别的离散簇：所有α、主要α、αβ、主要β、所有β、主要无序/不规则和所有无序/不规则。每个结构类别的蛋白质的平均标准化 ROA 谱具有每个类别的独特特征。包含小麦蛋白A-麦醇溶蛋白和植物病毒马铃薯病毒X、水仙花叶病毒、木瓜花叶病毒和烟草脆裂病毒的独特簇，所有这些都出现在二维表示中的主要α簇中，在三维表示中在无序性增加的方向上变得清晰分离。这表明相应的五种蛋白质主要由 α 螺旋和无序结构组成，几乎没有或没有 β 折叠，迄今为止，它们都没有产生高分辨率的 X 射线结构。这种结构元件的组合可能具有功能意义，例如促进这些蛋白质以及其他蛋白质内的序列从无序到有序的转变（反之亦然）并抑制聚集。使用 ROA 来鉴定含有大量无序结构的蛋白质尤其在结构基因组学/蛋白质组学中很有价值，因为无序区域通常会抑制结晶。
Vibrational Raman optical activity (ROA), measured as a small difference in the intensity of Raman scattering from chiral molecules in right and left-circularly polarized incident light, or as the intensity of a small circularly polarized component in the scattered light, is a powerful probe of the aqueous solution structure of proteins. On account of the large number of structure-sensitive bands in protein ROA spectra, multivariate analysis techniques such as non-linear mapping (NLM) are especially favourable for determining structural relationships between different proteins. Here NLM is used to map a dataset of 80 polypeptide, protein and virus ROA spectra, considered as points in a multidimensional space with axes representing the digitized wavenumbers, into readily visualizable two and three-dimensional spaces in which points close to or distant from each other, respectively, represent similar or dissimilar structures. Discrete clusters are observed which correspond to the seven structure classes all α, mainly α, αβ, mainly β, all β, mainly disordered/irregular and all disordered/irregular. The average standardised ROA spectra of the proteins falling within each structure class have distinct features characteristic of each class. A distinct cluster containing the wheat protein A-gliadin and the plant viruses potato virus X, narcissus mosaic virus, papaya mosaic virus and tobacco rattle virus, all of which appear in the mainly α cluster in the two-dimensional representation, becomes clearly separated in the direction of increasing disorder in the three-dimensional representation. This suggests that the corresponding five proteins, none of which to date has yielded high-resolution X-ray structures, consist mainly of α-helix and disordered structure with little or no β-sheet. This combination of structural elements may have functional significance, such as facilitating disorder-to-order transitions (and vice versa) and suppressing aggregation, in these proteins and also in sequences within other proteins. The use of ROA to identify proteins containing significant amounts of disordered structure will, inter alia, be valuable in structural genomics/proteomics since disordered regions often inhibit crystallization.
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蛋白质及其组装体的拉曼光谱。
DOI：
10.1007/978-1-4899-1727-0_3
发表时间：
1995
期刊：
Sub-cellular biochemistry.
影响因子：
--
作者：
Miura,T;ThomasJr,GJ
通讯作者：
ThomasJr,GJ
影响因子：
--
作者：
Zhengshuang Shi;R. Woody;N. Kallenbach
通讯作者：
Zhengshuang Shi;R. Woody;N. Kallenbach
通过偏振拉曼、FT-IR 和 VCD 光谱测定水中四丙氨酸的构象。
DOI：
10.1021/ja039452c
发表时间：
2004
期刊：
Journal of the American Chemical Society.
影响因子：
--
作者：
Schweitzer-Stenner,Reinhard;Eker,Fatma;Griebenow,Kai;Cao,Xiaolin;Nafie,LaurenceA
通讯作者：
Nafie,LaurenceA
影响因子：
5.6
作者：
Wright, PE;Dyson, HJ
通讯作者：
Dyson, HJ