MUTATIONEXPLORER——一个用于蛋白质突变及能量影响的3D可视化的网络服务器。

MUTATIONEXPLORER- A WEBSERVER FOR MUTATION OF PROTEINS AND 3D VISUALIZATION OF ENERGETIC IMPACTS.

作者信息

Philipp Michelle, Moth Christopher W, Ristic Nikola, Tiemann Johanna K S, Seufert Florian, Panfilova Aleksandra, Meiler Jens, Hildebrand Peter W, Stein Amelie, Wiegreffe Daniel, Staritzbichler René

机构信息

Leipzig University, Image and Signal Processing Group, Leipzig, Germany.

Vanderbilt University, Center for Structural Biology, Nashville, Tennessee, USA.

出版信息

bioRxiv. 2024 Feb 28:2023.03.23.533926. doi: 10.1101/2023.03.23.533926.

DOI:10.1101/2023.03.23.533926

PMID:38464310

原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC10925206/

Abstract

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.

摘要

只有在蛋白质三维结构的背景下，才能理解突变对蛋白质稳定性和功能的可能影响。MutationExplorer网络服务器将序列变化映射到蛋白质结构上，并允许用户通过输入序列变化来研究变异。当用户输入变体时，三维模型会演变，能量的估计变化会被突出显示。除了基本的逐个残基输入格式外，MutationExplorer还可以上传整个替换序列。以前这是桌面应用程序的功能，这样的上传可以一步将PDB结构反向突变为野生型序列。另一个支持的变异来源是人类单核苷酸多态性（SNP），以VCF格式输入的基因组坐标。