Thursday, June 26th at 12:00pm EDT -- please join our webinar to learn about DSSR, a new 3DNA program for Defining the Secondary Structures of RNA from three-dimensional coordinates. Xiang-Jun Lu, Associate Research Scientist from Columbia University, will present.
Structures of RNA from three-dimensional coordinates
Thursday, June 26th at 12pm EDT
Xiang-Jun Lu, Ph.D.
Associate Research Scientist
Department of Biological Sciences
Read more about DSSR in the abstract below. For additional DSSR-related news and information, check the 3DNA homepage where a comprehensive DSSR user manual can be downloaded; DSSR-related questions and suggestions are always welcome on the 3DNA Forum.
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Host: Jason Key
Abstract: As the number of experimentally solved RNA-containing structures grows, it is becoming increasingly important to characterize the geometric features of the molecules consistently and efficiently. Existing RNA bioinformatics tools are fragmented, and suffer in either scope or usability. DSSR, a new 3DNA program for Defining the Secondary Structures of RNA from three-dimensional coordinates, is designed to streamline the analysis of 3D RNA structures. It consolidates, refines, and significantly extends the functionality of 3DNA for RNA structural analysis.
Starting from an RNA structure in PDB or PDBx/mmCIF format, DSSR employs a set of simple geometric criteria to identify all existent base pairs (bp): either canonical Watson-Crick and wobble pairs or non-canonical pairs with at least one hydrogen bond. The latter pairs may include normal or modified bases, regardless of tautomeric or protonation state. The program denotes each bp by common names, the Saenger classification scheme of 28 H-bonding types, and the Leontis-Westhof nomenclature of 12 basic geometric classes.
DSSR detects multiplets (triplets or higher-order base associations) by searching horizontally in the plane of the associated bp for further H-bonding interactions. The program determines double-helical regions by exploring vertically in the neighborhood of selected bps for base-stacking interactions, regardless of backbone connection (e.g., coaxial stacking of helices). DSSR then identifies hairpin loops, bulges, internal loops, and multi-branch loops (junctions), and recognizes the existence of pseudo-knots. The program outputs RNA secondary structure in dot-bracket notation (dbn) and connect table (.ct) format that can be fed directly into visualization tools (such as VARNA).
DSSR classifies dinucleotide steps into the most common A-, B-, or Z-form double helices, calculates commonly used backbone torsion angles, and assigns the consensus RNA backbone suite names. The program also identifies A-minor interactions, ribose zippers, G quartets, kissing loops, U-turns, and kink-turns. Furthermore, it reports non-pairing interactions (H-bonding or base-stacking) between two nucleotides, and contacts involving phosphate groups.
Currently at version 1.1, DSSR is in a stable and mature state. A simple web interface and a comprehensive user manual are available. Supported by Dr. Robert Hanson, DSSR has recently been integrated into Jmol, a popular molecular graphics program. DSSR-related news and information can be found on the 3DNA homepage (x3dna.org). Questions and suggestions are always welcome on the 3DNA forum (forum.x3dna.org).
In this webinar, I will briefly outline the key algorithms underlying DSSR, and focus on a few of its applications using concrete examples.