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3DLigandSite: predicting ligand-binding sites using similar structures

Open access
Wass, Mark N., Kelley, Lawrence A., Sternberg, Michael J. E.·2010·Nucleic Acids Research

Abstract

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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Metadata

Authors
Wass, M. N., Kelley, L. A., & Sternberg, M. J. E.
Venue
Nucleic Acids Research
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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CoChat. (2026). Citation check: 3DLigandSite: predicting ligand-binding sites using similar structures. https://app.cochat.ai/papers/10.1093/nar/gkq406
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Wass, M. N., Kelley, L. A., & Sternberg, M. J. E. (2010). 3DLigandSite: predicting ligand-binding sites using similar structures. Nucleic Acids Research. https://doi.org/10.1093/nar/gkq406

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