Automated identification of RNA 3D modules with discriminative power in RNA structural alignments

TY - JOUR

T1 - Automated identification of RNA 3D modules with discriminative power in RNA structural alignments

AU - Theis, Corinna

AU - Höner zu Siederdissen, Christian

AU - Hofacker, Ivo L.

AU - Gorodkin, Jan

PY - 2013/12

Y1 - 2013/12

N2 - Recent progress in predicting RNA structure is moving towards filling the 'gap' in 2D RNA structure prediction where, for example, predicted internal loops often form non-canonical base pairs. This is increasingly recognized with the steady increase of known RNA 3D modules. There is a general interest in matching structural modules known from one molecule to other molecules for which the 3D structure is not known yet. We have created a pipeline, metaRNAmodules, which completely automates extracting putative modules from the FR3D database and mapping of such modules to Rfam alignments to obtain comparative evidence. Subsequently, the modules, initially represented by a graph, are turned into models for the RMDetect program, which allows to test their discriminative power using real and randomized Rfam alignments. An initial extraction of 22495 3D modules in all PDB files results in 977 internal loop and 17 hairpin modules with clear discriminatory power. Many of these modules describe only minor variants of each other. Indeed, mapping of the modules onto Rfam families results in 35 unique locations in 11 different families. The metaRNAmodules pipeline source for the internal loop modules is available athttp://rth.dk/resources/mrm.

AB - Recent progress in predicting RNA structure is moving towards filling the 'gap' in 2D RNA structure prediction where, for example, predicted internal loops often form non-canonical base pairs. This is increasingly recognized with the steady increase of known RNA 3D modules. There is a general interest in matching structural modules known from one molecule to other molecules for which the 3D structure is not known yet. We have created a pipeline, metaRNAmodules, which completely automates extracting putative modules from the FR3D database and mapping of such modules to Rfam alignments to obtain comparative evidence. Subsequently, the modules, initially represented by a graph, are turned into models for the RMDetect program, which allows to test their discriminative power using real and randomized Rfam alignments. An initial extraction of 22495 3D modules in all PDB files results in 977 internal loop and 17 hairpin modules with clear discriminatory power. Many of these modules describe only minor variants of each other. Indeed, mapping of the modules onto Rfam families results in 35 unique locations in 11 different families. The metaRNAmodules pipeline source for the internal loop modules is available athttp://rth.dk/resources/mrm.

KW - Faculty of Health and Medical Sciences

U2 - 10.1093/nar/gkt795

DO - 10.1093/nar/gkt795

M3 - Journal article

C2 - 24005040

SN - 0305-1048

VL - 41

SP - 9999

EP - 10009

JO - Nucleic Acids Research

JF - Nucleic Acids Research

IS - 22

ER -