Authors:

Tristen M West

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About Paper:

Computational simulations have played a vital role in understanding protein secondary structure. One way to predict protein secondary structure is to simulate their vibrational spectra. However, running vibrational spectroscopy simulations are often intimidating due to their complexity. The Reppert Research Group has developed a free online educational tool to simulate protein infrared (IR) spectra called AmideSpec. By automating this software and making it more quantitatively accurate, experimentalists would be able to easily run accurate simulations on proteins with limited technical knowledge. To further develop said app, two de novo proteins (NuG2b and Top7) have been labeled and their IR spectra have been collected by Fourier- transform infrared (FTIR) spectroscopy. FTIR was used to study the different amino acid's contributions to the overall protein vibrational spectrum. To isolate the labeled amino acid peaks, a reverse isotope labeling method was used. This method grows cells in C-13 media, then labels the cells by adding specific C-12 amino acids when inducing protein expression. As we study how the different amino acids contribute to each protein's secondary structure, we can get a better understanding on how to produce more accurate simulations. Keywords: Vibrational Spectroscopy; Rapid Screening Technique; Protein Secondary Structure; FTIR; IR

Source:

Purdue University / 2024

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Co-authors:

Tristen M West