About SHAPE probing
Selective 2′-hydroxyl acylation analyzed by primer extension (SHAPE) is a technique regarded as a gold standard chemical strategy, widely applied to study RNA secondary structure at a single-nucleotide resolution [1]. SHAPE probing allows for studying the flexibility of RNA backbone, based on the susceptibility of nucleotides to chemical modification. RNA-modifying agents, such as NMIA most commonly used in in vitro experiments or 1M7 applied in probing RNA in vivo in the cellular context [2] [3], are sequence-unbiased reagents. They form an adduct with the sugar 2′-hydroxyl group of flexible or disordered nucleotides and discriminate them from residues that are rigid, e.g., involved in base pairing in double-stranded, helical regions.
Briefly, RNA is first subjected to the modification and then serves as a template for the reverse transcription reaction. The synthesis of the cDNA strands halts at the sites of modification at highly reactive nucleotides. Samples are then submitted to capillary electrophoresis, and resulting chromatograms can subsequently be analyzed in dedicated QuShape software [4]. Raw data coming from the analysis of modified vs. non-modified RNA requires normalization and then can be used for the secondary structure prediction; however, those steps, including data visualization, so far have to be executed manually by using multiple tools available from different sources.
About DMS and CMCT probing
DMS (dimethyl sulfate) and CMCT (N-cyclohexyl-N-(2-morpholinoethyl)carbodiimide methyl-p-toluenesulfonate) are commonly used chemicals that react with the nitrogen base moiety of RNA in a sequence-specific manner. Both compounds modify the Watson-Crick edge of nucleotides that are free from the Watson-Crick base pairing [5]. DMS methylates adenine at the N1 position and cytosine at the N3 position [6], while CMCT is used mostly for modification of uracil in position N3, and can also react with the nitrogen in the N3 position of guanine [7]. These modifications create blocks to reverse transcriptase and they can be detected as stops in the primer extension reaction. Because DMS and CMCT modify only single-stranded RNA, double-stranded regions are inferred by the lack of modification. In addition, DMS modifies guanine at the N7 position of the Hoogsten edge, which does not create reverse transcriptase stops, but can be detected by cleavage of the modified RNA after borohydride reduction and aniline cleavage [5].
Related resources
RNAex [8], Structure Surfer [9], Fold Atlas [10], and RSVdb [11] databases serve as repositories for high-throughput probing data from various types of experiments (see the table below). They allow for browsing and visualizing transcriptome structural data. None of these four databases contain data or secondary structures based on CMCT chemical probing. The key difference compared to RNAProbe is that these databases do not allow the user to analyze their own experimental data on the fly. Instead, they provide results of previous experiments, mostly done in a high-throughput fashion for entire transcriptomes of model organisms. Hence, there is no overlap of RNAProbe with these databases.Database | Species | Probing methods | Secondary structure |
---|---|---|---|
RNAex | A. thaliana, S. cerevisiae, H. sapiens,M. musculus | PARS, DMS-seq, Structure-seq, icSHAPE, Frag-seq, CIRS-seq | restrained MaxExpect, SeqFold, RNAstructure (Fold), RNAfold |
Structure Surfer | Mammalian transcriptomes | PARS, DMS-seq, icSHAPE, ds/ssRNA-Seq | SAVoR |
Fold Atlas | A. thaliana | High-depth Structure-seq DMS analysis | RNAstructure (Fold) |
RSVdb | A. thaliana, D. melanogaster, E. coli, H. sapiens, M. musculus, O. sativa, S. cerevisiae,D. rerio | DMS-seq, structure-seq, structure-seq2, CIRS-seq, and DMS-MaPseq | RNAstructure (Fold) |
Tool: | RNA Framework | StructureFold | RNAProbe |
---|---|---|---|
Browser interface | NO | YES | YES |
Local installation required | YES | NO | NO |
Programming skills required | YES | NO | NO |
Tool content | Set of programs | Set of programs | Fully integrated pipeline |
Supported methods | CIRS-seq, SHAPE-seq, Structure-seq, PARS,SHAPE-MaP, DMS-MaPseq | Structure-Seq, Mod-seq, DMS-seq | SHAPE, DMS and CMCT probing |
Processing of high-throughput sequencing data | YES | YES | NO |
Processing of data from single experiments analyzed with capillary electrophoresis | NO | YES (but requires preprocessing) | YES |
Secondary structure prediction | RNAstructure, ViennaRNA, SeqFold | RNAstructure, ViennaRNA | RNAstructure (ShapeKnots for SHAPE, Fold for DMS and CMCT), ViennaRNA |
Input | RNA structure profiling data, reference genome or transcriptome | RNA structure profiling data, reference genome or transcriptome | Nucleotide reactivity table obtained from QuShape analysis |
Output | Bar plot with the nucleotide reactivity heatmap, predicted secondary structure in a dot bracket notation and graphical visualization (*.ps or *.svg file) | Bar plot with nucleotide reactivity, predicted secondary structure in a dot bracket notation and graphical visualization (*.ps file) | Bar plot and table with the nucleotide reactivity heatmap, predicted secondary structure in a dot bracket notation, mapping reactivity to 2D and 3D RNA structure, and graphical visualization (*.png file) |
References
- [1] Lee, B., Flynn, R.A., Kadina, A., Guo, J.K., Kool, E.T. and Chang, H.Y., 2017. Comparison of SHAPE reagents for mapping RNA structures inside living cells. Rna, 23(2), pp.169-174.
- [2] Merino, E.J., Wilkinson, K.A., Coughlan, J.L. and Weeks, K.M., 2005. RNA structure analysis at single nucleotide resolution by selective 2 ‘-hydroxyl acylation and primer extension (SHAPE). Journal of the American Chemical Society, 127(12), pp.4223-4231.
- [3] Wilkinson, K.A., Merino, E.J. and Weeks, K.M., 2006. Selective 2′-hydroxyl acylation analyzed by primer extension (SHAPE): quantitative RNA structure analysis at single nucleotide resolution. Nature protocols, 1(3), p.1610.
- [4] Karabiber, F., McGinnis, J.L., Favorov, O.V. and Weeks, K.M., 2013. QuShape: rapid, accurate, and best-practices quantification of nucleic acid probing information, resolved by capillary electrophoresis. Rna, 19(1), pp.63-73.
- [5] Stern, S., Moazed, D. and Noller, H.F., 1988. [33] Structural analysis of RNA using chemical and enzymatic probing monitored by primer extension. In Methods in enzymology (Vol. 164, pp. 481-489). Academic Press.
- [6] Peattie, D.A. and Gilbert, W., 1980. Chemical probes for higher-order structure in RNA. Proceedings of the National Academy of Sciences, 77(8), pp.4679-4682.
- [7] Harris, K.A., Crothers, D.M. and Ullu, E.L.I.S.A.B.E.T.T.A., 1995. In vivo structural analysis of spliced leader RNAs in Trypanosoma brucei and Leptomonas collosoma: a flexible structure that is independent of cap4 methylations. RNA, 1(4), pp.351-362.
- [8] Yang et al., 2016, “RNAex: an RNA secondary structure prediction server enhanced by high-throughput structure-probing data”Nucleic Acids Research http://RNAex.ncrnalab.org/
- [9] Berkowitz, N.D., Silverman, I.M., Childress, D.M., Wang, L.S., and Gregory, B.D. 2016. A comprehensive database of high-throughout sequencing-based RNA secondary structure probing data (Structure Surfer). BMC Bioinformatics 17: 215.
- [10] Norris et al., 2017 “FoldAtlas: a repository for genome-wide RNA structure probing data”. Bioinformatics. www.foldatlas.com
- [11] Yu et al., 2019 “RSVdb: A comprehensive database of in vivo mRNA structure” https://taolab.nwafu.edu.cn/rsvdb/
- [12] Incarnato et al., 2018, “RNA Framework: an all-in-one toolkit for the analysis of RNA structures and post-transcriptional modifications” Nucleic Acids Research http://www.rnaframework.com.
- [13] Tang et al.,2015 “StructureFold: genome-wide RNA secondary structure mapping and reconstruction in vivo”. Bioinformatics StructureFold is freely available as a component of Galaxy available at: https://usegalaxy.org/