Coherent two-dimensional infrared spectroscopy: Quantitative analysis of protein secondary structure in solution
We present a method to quantitatively determine the secondary structure composition of globular proteins using coherent two-dimensional infrared (2DIR) spectroscopy of backbone amide I vibrations (1550–1720 cm−1). Sixteen proteins with known crystal structures were used to construct a library of 2DI...
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| Format: | Article |
| Language: | en_US |
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Royal Society of Chemistry
2013
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| Online Access: | http://hdl.handle.net/1721.1/77962 https://orcid.org/0000-0002-7390-3652 |
| _version_ | 1811071118810808320 |
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| author | Baiz, Carlos R. Peng, Chunte Reppert, Michael Earl Jones, Kevin C. Tokmakoff, Andrei |
| author2 | Massachusetts Institute of Technology. Department of Chemistry |
| author_facet | Massachusetts Institute of Technology. Department of Chemistry Baiz, Carlos R. Peng, Chunte Reppert, Michael Earl Jones, Kevin C. Tokmakoff, Andrei |
| author_sort | Baiz, Carlos R. |
| collection | MIT |
| description | We present a method to quantitatively determine the secondary structure composition of globular proteins using coherent two-dimensional infrared (2DIR) spectroscopy of backbone amide I vibrations (1550–1720 cm−1). Sixteen proteins with known crystal structures were used to construct a library of 2DIR spectra, and the fraction of residues in α-helix, β-sheet, and unassigned conformations was determined by singular value decomposition (SVD) of the measured two-dimensional spectra. The method was benchmarked by removing each individual protein from the set and comparing the composition extracted from 2DIR against the composition determined from the crystal structures. To highlight the increased structural content extracted from 2DIR spectra a similar analysis was also carried out using conventional infrared absorption of the proteins in the library. |
| first_indexed | 2024-09-23T08:46:21Z |
| format | Article |
| id | mit-1721.1/77962 |
| institution | Massachusetts Institute of Technology |
| language | en_US |
| last_indexed | 2024-09-23T08:46:21Z |
| publishDate | 2013 |
| publisher | Royal Society of Chemistry |
| record_format | dspace |
| spelling | mit-1721.1/779622022-09-30T11:08:20Z Coherent two-dimensional infrared spectroscopy: Quantitative analysis of protein secondary structure in solution Baiz, Carlos R. Peng, Chunte Reppert, Michael Earl Jones, Kevin C. Tokmakoff, Andrei Massachusetts Institute of Technology. Department of Chemistry Tokmakoff, Andrei Baiz, Carlos R. Peng, Chunte Reppert, Michael Earl Jones, Kevin C. Tokmakoff, Andrei We present a method to quantitatively determine the secondary structure composition of globular proteins using coherent two-dimensional infrared (2DIR) spectroscopy of backbone amide I vibrations (1550–1720 cm−1). Sixteen proteins with known crystal structures were used to construct a library of 2DIR spectra, and the fraction of residues in α-helix, β-sheet, and unassigned conformations was determined by singular value decomposition (SVD) of the measured two-dimensional spectra. The method was benchmarked by removing each individual protein from the set and comparing the composition extracted from 2DIR against the composition determined from the crystal structures. To highlight the increased structural content extracted from 2DIR spectra a similar analysis was also carried out using conventional infrared absorption of the proteins in the library. National Science Foundation (U.S.) (CHE-0616575) National Institutes of Health (U.S.) (CHE-0911107) Agilent Technologies 2013-03-21T15:40:25Z 2013-03-21T15:40:25Z 2012-03 2011-10 Article http://purl.org/eprint/type/JournalArticle 0003-2654 1364-5528 http://hdl.handle.net/1721.1/77962 Baiz, Carlos R. et al. “Coherent Two-dimensional Infrared Spectroscopy: Quantitative Analysis of Protein Secondary Structure in Solution.” The Analyst 137.8 (2012): 1793. CrossRef. Web. https://orcid.org/0000-0002-7390-3652 en_US http://dx.doi.org/10.1039/c2an16031e Analyst Creative Commons Attribution-Noncommercial-Share Alike 3.0 http://creativecommons.org/licenses/by-nc-sa/3.0/ application/pdf Royal Society of Chemistry Prof. Tokmakoff via Erja Kajosalo |
| spellingShingle | Baiz, Carlos R. Peng, Chunte Reppert, Michael Earl Jones, Kevin C. Tokmakoff, Andrei Coherent two-dimensional infrared spectroscopy: Quantitative analysis of protein secondary structure in solution |
| title | Coherent two-dimensional infrared spectroscopy: Quantitative analysis of protein secondary structure in solution |
| title_full | Coherent two-dimensional infrared spectroscopy: Quantitative analysis of protein secondary structure in solution |
| title_fullStr | Coherent two-dimensional infrared spectroscopy: Quantitative analysis of protein secondary structure in solution |
| title_full_unstemmed | Coherent two-dimensional infrared spectroscopy: Quantitative analysis of protein secondary structure in solution |
| title_short | Coherent two-dimensional infrared spectroscopy: Quantitative analysis of protein secondary structure in solution |
| title_sort | coherent two dimensional infrared spectroscopy quantitative analysis of protein secondary structure in solution |
| url | http://hdl.handle.net/1721.1/77962 https://orcid.org/0000-0002-7390-3652 |
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