Protein secondary structure content in solution, films and tissues: Redundancy and complementarity of the information content in circular dichroism, transmission and ATR FTIR spectra
Protein secondary structure content in solution, films and tissues: Redundancy and complementarity of the information content in circular dichroism, transmission and ATR FTIR spectra
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DOI：
10.1016/j.bbapap.2009.06.007
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发表时间：
2009-09-01
影响因子：
3.2
通讯作者：
Raussens, Vincent
中科院分区：
文献类型：
--
作者：
Goormaghtigh, Erik;Gasper, Regis;Raussens, Vincent
本文提出了一种简单而稳健的方法，可通过圆二色性、透射率和衰减全反射 (ATR) 傅里叶变换红外光谱来确定蛋白质二级结构。研究发现，不同的光谱方法带来了有价值但大致相同的蛋白质二级结构信息。 ATR 和透射 FTIR 光谱显示出明显的差异，但可以从它们的光谱中预测二级结构，并取得大致相同的成功。还发现一个波数或波长包括与二级结构含量相关的大部分信息，并且对于任何光谱数据都可以找到不超过3个显着的独立波数/波长。这一发现表明吸光度或椭圆率的更复杂的线性组合不会进一步改善二级结构预测。此外，CD、透射和 ATR FTIR 光谱中的信息内容在很大程度上是冗余的。如果结合 CD 和 FTIR 可以在一定程度上提高结构预测质量，那么这种改进就太有限了，不足以促使光谱学家收集不同的光谱数据用于结构预测。另一方面，收集的数据表明 FTIR 光谱仪的质量优于生物传感器；或从 10(-9) 到 10(-15) g 采样的成像方法可产生足够质量的光谱来分析蛋白质二级结构。这些新技术为新的研究领域开辟了道路，包括配体的蛋白质构象反应和亚细胞尺度的成像。 (C) 2009 Elsevier B.V. 保留所有权利。
The paper presents a simple and robust method to determine protein secondary structure from circular dichroism, transmission and attenuated total reflection (ATR) Fourier transform infrared spectra. It is found that the different spectroscopic methods bring valuable but roughly identical information on the secondary structure of proteins. ATR and transmission FTIR spectra display distinct differences, yet the secondary structure can be predicted from their spectra with roughly the same success. It is also found that one wavenumber or wavelength includes the large majority of the information correlated with secondary structure content and no more than 3 significant independent wavenumbers/wavelengths could be found for any of the spectroscopic data. This finding indicates that more complex linear combinations of the absorbance or ellipticities will not further improve secondary structure predictions. Furthermore, the information content in CD, transmission and ATR FTIR spectra is largely redundant. If combining CD and FTIR results in some improvement of structure prediction quality, the improvement is too modest to prompt spectroscopists to collect different spectroscopic data for structure prediction purposes. On the other hand, the data collected show that the quality of the FTIR spectrometers is such that biosensors; or imaging methods sampling from 10(-9) to 10(-15) g yield spectra of sufficient quality to analyze protein secondary structure. These new techniques open the way to a new area of research, both in protein conformational response to ligand and imaging at sub-cellular scales. (C) 2009 Elsevier B.V. All rights reserved.