POPPeT: a New Method to Predict the Protection Factor of Backbone Amide Hydrogens.
HDX-MS
Protection factor
Protein structure
Journal
Journal of the American Society for Mass Spectrometry
ISSN: 1879-1123
Titre abrégé: J Am Soc Mass Spectrom
Pays: United States
ID NLM: 9010412
Informations de publication
Date de publication:
Jan 2019
Jan 2019
Historique:
received:
13
03
2018
accepted:
28
08
2018
revised:
13
08
2018
pubmed:
20
10
2018
medline:
20
10
2018
entrez:
20
10
2018
Statut:
ppublish
Résumé
Hydrogen exchange (HX) has become an important tool to monitor protein structure and dynamics. The interpretation of HX data with respect to protein structure requires understanding of the factors that influence exchange. Simulated protein structures can be validated by comparing experimental deuteration profiles with the profiles derived from the modeled protein structure. To do this, we propose here a new method, POPPeT, for protection factor prediction based on protein motions that enable HX. By comparing POPPeT with two existing methods, the phenomenological approximation and COREX, we show enhanced predictability measured at both protection factor and deuteration level. This method can be subsequently used by modeling strategies for protein structure prediction. Graphical Abstract ᅟ.
Identifiants
pubmed: 30338451
doi: 10.1007/s13361-018-2068-x
pii: 10.1007/s13361-018-2068-x
pmc: PMC6318252
doi:
Types de publication
Journal Article
Langues
eng
Pagination
67-76Commentaires et corrections
Type : ErratumIn
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