The DOI matches its Crossref record; 3 of the 3 references it cites were found in a registry or an index.
n→π* interactions in proteins
Open accessAbstract
Hydrogen bonds between backbone amides are common in folded proteins. Here, we show that an intimate interaction between backbone amides likewise arises from the delocalization of a lone pair of electrons (n) from an oxygen atom to the antibonding orbital (π*) of the subsequent carbonyl group. Natural bond orbital analysis predicted significant n→π* interactions in certain regions of the Ramachandran plot. These predictions were validated by a statistical analysis of a large, non-redundant subset of protein structures determined to high resolution. The correlation between these two independent studies is striking. Moreover, the n→π* interactions are abundant, and especially prevalent in common secondary structures such as α-, 310-, and polyproline II helices, and twisted β-sheets. In addition to their evident effects on protein structure and stability, n→π* interactions could play important roles in protein folding and function, and merit inclusion in computational force fields.
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Kabsch, W., & Sander, C. (1983) · Biopolymers · doi:10.1002/bip.360221211 · Cited by 15,320
Collagen Structure and Stability
Shoulders, M. D., & Raines, R. T. (2009) · Annual Review of Biochemistry · doi:10.1146/annurev.biochem.77.032207.120833 · Cited by 3,923
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Farooq, A., Chaturvedi, G., Mujtaba, S., Plotnikova, O., Zeng, L., Dhalluin, C., Ashton, R., & Zhou, M.-M. (2001) · Molecular Cell · doi:10.1016/s1097-2765(01)00186-1 · Cited by 119
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Metadata
- Authors
- Bartlett, G. J., Choudhary, A., Raines, R. T., & Woolfson, D. N.
- Venue
- Nature Chemical Biology
- Published
- 2010-07-11
- Volume
- 6
- Issue
- 8
- Pages
- 615-620
- ISSN
- 1552-4450 (ISSN-L)
- 1552-4469
- OpenAlex
- W2086578831
- Cited by
- 389
- References
- 3
- FWCI
- 8.51
- Type
- journal article
- Language
- en
- Open access
- green
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- Bartlett, G. J., Choudhary, A., Raines, R. T., & Woolfson, D. N. (2010). n→π* interactions in proteins. Nature Chemical Biology. https://doi.org/10.1038/nchembio.406
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