HDX-Viewer: interactive 3D visualization of hydrogen-deuterium exchange data

被引:22
作者
Bouyssie, David [1 ]
Lesne, Jean [1 ]
Locard-Paulet, Marie [1 ,2 ]
Albigot, Renaud [1 ]
Burlet-Schiltz, Odile [1 ]
Marcoux, Julien [1 ]
机构
[1] Univ Toulouse, CNRS, UPS, Inst Pharmacol & Biol Struct, F-31077 Toulouse, France
[2] Univ Copenhagen, Novo Nordisk Fdn Ctr Prot Res, DK-2200 Copenhagen, Denmark
关键词
MASS-SPECTROMETRY;
D O I
10.1093/bioinformatics/btz550
中图分类号
Q5 [生物化学];
学科分类号
071010 ; 081704 ;
摘要
A Summary: With the advent of fully automated sample preparation robots for Hydrogen-Deuterium eXchange coupled to Mass Spectrometry (HDX-MS), this method has become paramount for ligand binding or epitope mapping screening, both in academic research and biopharmaceutical industries. However, bridging the gap between commercial HDX-MS software (for raw data interpretation) and molecular viewers (to map experiment results onto a 3D structure for biological interpretation) remains laborious and requires simple but sometimes limiting coding skills. We solved this bottleneck by developing HDX-Viewer, an open-source web-based application that facilitates and quickens HDX-MS data analysis. This user-friendly application automatically incorporates HDX-MS data from a custom template or commercial HDX-MS software in PDB files, and uploads them to an online 3D molecular viewer, thereby facilitating their visualization and biological interpretation.
引用
收藏
页码:5331 / 5333
页数:3
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