MutationExplorer : a webserver for mutation of proteins and 3D visualization of energetic impacts

作者：Michelle Philipp, Christopher W. Moth, Nikola Ristic, Johanna K. S. Tiemann, Florian Seufert, Aleksandra Panfilova, Jens Meiler, Peter W. Hildebrand, Amelie Stein, Daniel Wiegreffe, René Staritzbichler · 发表于：Nucleic Acids Research · 年份：2024 · DOI：10.1093/nar/gkae301 · 被引用次数：31 · 研究领域：Protein Structure and Dynamics、Genomics and Phylogenetic Studies、Scientific Computing and Data Management

The possible effects of mutations on stability and function of a protein can only be understood in the context of protein 3D structure. The MutationExplorer webserver maps sequence changes onto protein structures and allows users to study variation by inputting sequence changes. As the user enters variants, the 3D model evolves, and estimated changes in energy are highlighted. In addition to a basic per-residue input format, MutationExplorer can also upload an entire replacement sequence. Previously the purview of desktop applications, such an upload can back-mutate PDB structures to wildtype sequence in a single step. Another supported variation source is human single nucelotide polymorphisms (SNPs), genomic coordinates input in VCF format. Structures are flexibly colorable, not only by energetic differences, but also by hydrophobicity, sequence conservation, or other biochemical profiling. Coloring by interface score reveals mutation impacts on binding surfaces. MutationExplorer strives for efficiency in user experience. For example, we have prepared 45 000 PDB depositions for instant retrieval and initial display. All modeling steps are performed by Rosetta. Visualizations leverage MDsrv/Mol*. MutationExplorer is available at: http://proteinformatics.org/mutation_explorer/.