Please use this identifier to cite or link to this item: https://hdl.handle.net/10356/81406
Title: Topology independent comparison of RNA 3D structures using the CLICK algorithm
Authors: Nguyen, Minh N.
Sim, Adelene Y. L.
Wan, Yue
Madhusudhan, M. S.
Verma, Chandra
Keywords: RNA
Complex
Issue Date: 2016
Source: Nguyen, M. N., Sim, A. Y. L., Wan, Y., Madhusudhan, M. S., & Verma, C. (2017). Topology independent comparison of RNA 3D structures using the CLICK algorithm. Nucleic Acids Research, 45(1), e5-.
Series/Report no.: Nucleic Acids Research
Abstract: RNA molecules are attractive therapeutic targets because non-coding RNA molecules have increasingly been found to play key regulatory roles in the cell. Comparing and classifying RNA 3D structures yields unique insights into RNA evolution and function. With the rapid increase in the number of atomic-resolution RNA structures, it is crucial to have effective tools to classify RNA structures and to investigate them for structural similarities at different resolutions. We previously developed the algorithm CLICK to superimpose a pair of protein 3D structures by clique matching and 3D least squares fitting. In this study, we extend and optimize the CLICK algorithm to superimpose pairs of RNA 3D structures and RNA–protein complexes, independent of the associated topologies. Benchmarking Rclick on four different datasets showed that it is either comparable to or better than other structural alignment methods in terms of the extent of structural overlaps. Rclick also recognizes conformational changes between RNA structures and produces complementary alignments to maximize the extent of detectable similarity. Applying Rclick to study Ribonuclease III protein correctly aligned the RNA binding sites of RNAse III with its substrate. Rclick can be further extended to identify ligand-binding pockets in RNA. A web server is developed at http://mspc.bii.a-star.edu.sg/minhn/rclick.html.
URI: https://hdl.handle.net/10356/81406
http://hdl.handle.net/10220/43468
ISSN: 0305-1048
DOI: 10.1093/nar/gkw819
Rights: © The Author(s) 2016. Published by Oxford University Press on behalf of Nucleic Acids Research. This is an Open Access article distributed under the terms of the Creative Commons Attribution License (http://creativecommons.org/licenses/by-nc/4.0/), which permits non-commercial re-use, distribution, and reproduction in any medium, provided the original work is properly cited.
Fulltext Permission: open
Fulltext Availability: With Fulltext
Appears in Collections:SBS Journal Articles

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