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Cation-π interactions in structural biology
Open accessAbstract
Cation-π interactions in protein structures are identified and evaluated by using an energy-based criterion for selecting significant sidechain pairs. Cation-π interactions are found to be common among structures in the Protein Data Bank, and it is clearly demonstrated that, when a cationic sidechain (Lys or Arg) is near an aromatic sidechain (Phe, Tyr, or Trp), the geometry is biased toward one that would experience a favorable cation-π interaction. The sidechain of Arg is more likely than that of Lys to be in a cation-π interaction. Among the aromatics, a strong bias toward Trp is clear, such that over one-fourth of all tryptophans in the data bank experience an energetically significant cation-π interaction.
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Cited by
Nott, T. J., Petsalaki, E., Farber, P., Jervis, D., Fussner, E., Plochowietz, A., Craggs, T. D., Bazett-Jones, D. P., Pawson, T., Forman-Kay, J. D., et al. (2015) · Molecular Cell · doi:10.1016/j.molcel.2015.01.013 · Cited by 1,803
Aromatic Rings in Chemical and Biological Recognition: Energetics and Structures
Salonen, L. M., Ellermann, M., & Diederich, F. (2011) · Angewandte Chemie International Edition · doi:10.1002/anie.201007560 · Cited by 1,539
Goetz, D. H., Holmes, M. A., Borregaard, N., Bluhm, M. E., Raymond, K. N., & Strong, R. K. (2002) · Molecular Cell · doi:10.1016/s1097-2765(02)00708-6 · Cited by 1,355
Boeynaems, S., Holehouse, A. S., Weinhardt, V., Kovacs, D., Van Lindt, J., Larabell, C., Van Den Bosch, L., Das, R., Tompa, P. S., Pappu, R. V., et al. (2019) · Proceedings of the National Academy of Sciences · doi:10.1073/pnas.1821038116 · Cited by 482
Gallivan, J. P., & Dougherty, D. A. (2000) · Journal of the American Chemical Society · doi:10.1021/ja991755c · Cited by 448
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Metadata
- Authors
- Gallivan, J. P., & Dougherty, D. A.
- Venue
- Proceedings of the National Academy of Sciences
- Published
- 1999-08-17
- Volume
- 96
- Issue
- 17
- Pages
- 9459-9464
- ISSN
- 0027-8424 (ISSN-L)
- 1091-6490
- OpenAlex
- W2054525948
- Cited by
- 1,997
- References
- 0
- FWCI
- 15.01
- Type
- journal article
- Language
- en
- Open access
- green
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