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3DLigandSite: predicting ligand-binding sites using similar structures
Open accessAbstract
3DLigandSite is a web server for the prediction of ligand-binding sites. It is based upon successful manual methods used in the eighth round of the Critical Assessment of techniques for protein Structure Prediction (CASP8). 3DLigandSite utilizes protein-structure prediction to provide structural models for proteins that have not been solved. Ligands bound to structures similar to the query are superimposed onto the model and used to predict the binding site. In benchmarking against the CASP8 targets 3DLigandSite obtains a Matthew's correlation co-efficient (MCC) of 0.64, and coverage and accuracy of 71 and 60%, respectively, similar results to our manual performance in CASP8. In further benchmarking using a large set of protein structures, 3DLigandSite obtains an MCC of 0.68. The web server enables users to submit either a query sequence or structure. Predictions are visually displayed via an interactive Jmol applet. 3DLigandSite is available for use at http://www.sbg.bio.ic.ac.uk/3dligandsite.
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“Using the settings described earlier, 3DLigandSite obtained a MCC of 0.64 and coverage and accuracy of 71 and 60%, respectively.”
MethodInfluential
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Kelley, L. A., Mezulis, S., Yates, C. M., Wass, M. N., & Sternberg, M. J. E. (2015) · Nature Protocols · doi:10.1038/nprot.2015.053 · Cited by 9,652
Self-citationIron-Dependent Callose Deposition Adjusts Root Meristem Maintenance to Phosphate Availability
Müller, J., Toev, T., Heisters, M., Teller, J., Moore, K. L., Hause, G., Dinesh, D. C., Bürstenbinder, K., & Abel, S. (2015) · Developmental Cell · doi:10.1016/j.devcel.2015.02.007 · Cited by 344
PDBe-KB: collaboratively defining the biological context of structural data
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Self-citation
Metadata
- Authors
- Wass, M. N., Kelley, L. A., & Sternberg, M. J. E.
- Venue
- Nucleic Acids Research
- Publisher
- Oxford University Press (OUP)
- Published
- 2010-05-29
- Volume
- 38
- Issue
- suppl_2
- Pages
- W469-W473
- ISSN
- 0305-1048 (ISSN-L)
- 1362-4962
- OpenAlex
- W2090649877
- Cited by
- 633
- References
- 2
- FWCI
- 9.45
- Type
- journal article
- Language
- en
- Open access
- gold
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