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Updated: Apr 9, 2026
Analyzing Protein Architectures and Protein-Ligand Complexes by Integrative Structural Mass Spectrometry
Published on: October 15, 2018
IBiSS, a versatile and interactive tool for integrated sequence and 3D structure analysis of large macromolecular
Brice Beinsteiner1, Jonathan Michalon1, Bruno P Klaholz1
1Centre for Integrative Biology (CBI), Department of Integrated Structural Biology, IGBMC (Institute of Genetics and of Molecular and Cellular Biology), Illkirch, France, Centre National de la Recherche Scientifique (CNRS) UMR 7104, Illkirch, France, Institut National de la Santé et de la Recherche Médicale (INSERM) U964, Illkirch, France and Université de Strasbourg, Strasbourg, France.
A new web tool, Integrative Biology of Sequences and Structures (IBiSS), enables simultaneous analysis of 3D structures and amino acid sequences for large macromolecular complexes. This facilitates understanding molecular mechanisms and functional implications.
Area of Science:
- Structural Biology
- Bioinformatics
- Molecular Biology
Background:
- Advances in cryo-electron microscopy (cryo-EM) and X-ray crystallography provide 3D structures of large macromolecular complexes.
- Analyzing these complexes requires integrating 3D structural data with amino acid sequence information.
- Current tools are insufficient for simultaneous structure-sequence analysis of complex assemblies.
Purpose of the Study:
- To develop a novel web-based tool for integrated analysis of 3D structures and sequences of macromolecular complexes.
- To facilitate the understanding of molecular mechanisms and functional implications by linking sequence conservation to structural features.
Main Methods:
- Development of a web-based tool named Integrative Biology of Sequences and Structures (IBiSS).
- Creation of a rapid-access internal database with pre-aligned multiple sequences and 3D structural information.
- Automatic retrieval and updating of annotations from UniProt, PDB, and EMDB.
Main Results:
- IBiSS allows interactive display of 3D structures and selected sequences for large macromolecular complexes.
- The tool enables simultaneous structure-sequence analysis, identifying conserved residues in catalysis or interfaces.
- The database includes structures of ribosomes, RNA polymerases, nucleosomes, proteasomes, and photosystems.
Conclusions:
- IBiSS provides a valuable resource for researchers studying complex macromolecular assemblies.
- The tool enhances the ability to correlate sequence information with structural organization.
- IBiSS supports deeper insights into the functional roles of conserved elements within large complexes.
