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De novo determination of peptide structure with solid-state magic-angle spinning NMR spectroscopy
Open accessAbstract
The three-dimensional structure of the chemotactic peptide N- formyl- l -Met- l -Leu- l -Phe-OH was determined by using solid-state NMR (SSNMR). The set of SSNMR data consisted of 16 13 C– 15 N distances and 18 torsion angle constraints (on 10 angles), recorded from uniformly 13 C, 15 N- and 15 N-labeled samples. The peptide's structure was calculated by means of simulated annealing and a newly developed protocol that ensures that all of conformational space, consistent with the structural constraints, is searched completely. The result is a high-quality structure of a molecule that has thus far not been amenable to single-crystal diffraction studies. The extensions of the SSNMR techniques and computational methods to larger systems appear promising.
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Citations
Cited by
Structure Determination of Membrane Proteins by NMR Spectroscopy
Opella, S. J., & Marassi, F. M. (2004) · Chemical Reviews · doi:10.1021/cr0304121 · Cited by 425
Molecular architecture of fungal cell walls revealed by solid-state NMR
Kang, X., Kirui, A., Muszyński, A., Widanage, M. C. D., Chen, A., Azadi, P., Wang, P., Mentink-Vigier, F., & Wang, T. (2018) · Nature Communications · doi:10.1038/s41467-018-05199-0 · Cited by 356
Li, S., & Hong, M. (2011) · Journal of the American Chemical Society · doi:10.1021/ja108943n · Cited by 296
Jaroniec, C. P., Filip, C., & Griffin, R. G. (2002) · Journal of the American Chemical Society · doi:10.1021/ja026385y · Cited by 288
Self-citationHarauz, G., Ishiyama, N., Hill, C. M. D., Bates, I. R., Libich, D. S., & Farès, C. (2004) · Micron · doi:10.1016/j.micron.2004.04.005 · Cited by 256
Metadata
- Authors
- Rienstra, C. M., Tucker-Kellogg, L., Jaroniec, C. P., Hohwy, M., Reif, B., McMahon, M. T., Tidor, B., Lozano-Pérez, T., & Griffin, R. G.
- Venue
- Proceedings of the National Academy of Sciences
- Published
- 2002-07-29
- Volume
- 99
- Issue
- 16
- Pages
- 10260-10265
- ISSN
- 0027-8424 (ISSN-L)
- 1091-6490
- OpenAlex
- W2117595572
- Cited by
- 267
- References
- 0
- FWCI
- 9.75
- Type
- journal article
- Language
- en
- Open access
- green
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- Rienstra, C. M., Tucker-Kellogg, L., Jaroniec, C. P., Hohwy, M., Reif, B., McMahon, M. T., Tidor, B., Lozano-Pérez, T., & Griffin, R. G. (2002). De novo determination of peptide structure with solid-state magic-angle spinning NMR spectroscopy. Proceedings of the National Academy of Sciences. https://doi.org/10.1073/pnas.152346599
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