The DOI matches its Crossref record; 2 of the 2 references it cites were found in a registry or an index.
Computer Simulations of the Diffusion of a Substrate to an Active Site of an Enzyme
Abstract
Computer simulations of the diffusion of a substrate to an enzyme active site were performed. They included the detailed shape of the protein and an accurate description of its electrostatic potential. Application of the method to the diffusion of the superoxide anion to the protein superoxide dismutase revealed that the electric field of the enzyme enhances the association rate of the anion by a factor of 30 or more. Calculated changes in the association rate as a function of ionic strength and amino acid modification paralleled the observed behavior. Design principles of superoxide dismutase are considered with respect to insights provided by the simulations. A possible means of enhancing the enzyme turnover rate through site-directed mutagenesis is proposed.
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Cites
Electrostatic recognition between superoxide and copper, zinc superoxide dismutase
Getzoff, E. D., Tainer, J. A., Weiner, P. K., Kollman, P. A., Richardson, J. S., & Richardson, D. C. (1983) · Nature · doi:10.1038/306287a0 · Cited by 554
Electrostatic interactions in the reaction mechanism of bovine erythrocyte superoxide dismutase
Cudd, A., & Fridovich, I. (1982) · Journal of Biological Chemistry · doi:10.1016/s0021-9258(18)33779-7 · Cited by 211
Cited by
Electrostatic Basis for Enzyme Catalysis
Warshel, A., Sharma, P. K., Kato, M., Xiang, Y., Liu, H., & Olsson, M. H. M. (2006) · Chemical Reviews · doi:10.1021/cr0503106 · Cited by 1,444
Principles of docking: An overview of search algorithms and a guide to scoring functions
Halperin, I., Ma, B., Wolfson, H., & Nussinov, R. (2002) · Proteins: Structure, Function, and Bioinformatics · doi:10.1002/prot.10115 · Cited by 1,294
Fridovich, I. (1989) · Journal of Biological Chemistry · doi:10.1016/s0021-9258(18)83102-7 · Cited by 964
Structural Symmetry and Protein Function
Goodsell, D. S., & Olson, A. J. (2000) · Annual Review of Biophysics and Biomolecular Structure · doi:10.1146/annurev.biophys.29.1.105 · Cited by 950
Kinetics of protein-protein association explained by Brownian dynamics computer simulation.
Northrup, S. H., & Erickson, H. P. (1992) · Proceedings of the National Academy of Sciences · doi:10.1073/pnas.89.8.3338 · Cited by 572
Metadata
- Authors
- Sharp, K., Fine, R., & Honig, B.
- Venue
- Science
- Published
- 1987-06-12
- Volume
- 236
- Issue
- 4807
- Pages
- 1460-1463
- ISSN
- 0036-8075 (ISSN-L)
- 1095-9203
- OpenAlex
- W2085322299
- Cited by
- 222
- References
- 2
- FWCI
- 5.81
- Type
- journal article
- Language
- en
- Open access
- closed
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- Sharp, K., Fine, R., & Honig, B. (1987). Computer Simulations of the Diffusion of a Substrate to an Active Site of an Enzyme. Science. https://doi.org/10.1126/science.3589666
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Bibliographic data: Semantic Scholar, OpenAlex, Crossref.
Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
Semantic Scholar’s data is described in: Kinney, R., et al. (2023). The Semantic Scholar Open Data Platform. arXiv:2301.10140.
