English
 
User Manual Privacy Policy Disclaimer Contact us
  Advanced SearchBrowse

Item

ITEM ACTIONSEXPORT
  Characterization of H/D exchange in type 1 pili by proton-detected solid-state NMR and molecular dynamics simulations.

Hwang, S., Öster, C., Chevelkov, V., Giller, K., Lange, S., Becker, S., et al. (2019). Characterization of H/D exchange in type 1 pili by proton-detected solid-state NMR and molecular dynamics simulations. Journal of Biomolecular NMR, 73(6-7), 281-291. doi:10.1007/s10858-019-00247-3.

Item is

Basic

show hide
Item Permalink: http://hdl.handle.net/21.11116/0000-0004-9625-9 Version Permalink: http://hdl.handle.net/21.11116/0000-0004-9628-6
Genre: Journal Article

Files

show Files
hide Files
:
3157931.pdf (Publisher version), 3MB
 
File Permalink:
-
Name:
3157931.pdf
Description:
-
Visibility:
Restricted ( Max Planck Society (every institute); )
MIME-Type / Checksum:
application/pdf
Technical Metadata:
Copyright Date:
-
Copyright Info:
-
License:
-

Locators

show

Creators

show
hide
 Creators:
Hwang, S., Author
Öster, C., Author
Chevelkov, V., Author
Giller, K.1, Author              
Lange, S., Author
Becker, S.2, Author              
Lange, A., Author
Affiliations:
1Department of NMR-Based Structural Biology, MPI for biophysical chemistry, Max Planck Society, ou_578567              
2Department of NMR Based Structural Biology, MPI for biophysical chemistry, Max Planck Society, ou_578567              

Content

show
hide
Free keywords: Uropathogenic E; coli; Type 1 pili; Hydrogen deuterium exchange; Solid-state NMR; Molecular dynamics simulations
 Abstract: Uropathogenic Escherichia coli invades and colonizes hosts by attaching to cells using adhesive pili on the bacterial surface. Although many biophysical techniques have been used to study the structure and mechanical properties of pili, many important details are still unknown. Here we use proton-detected solid-state NMR experiments to investigate solvent accessibility and structural dynamics. Deuterium back-exchange at labile sites of the perdeuterated, fully proton back-exchanged pili was conducted to investigate hydrogen/deuterium (H/D) exchange patterns of backbone amide protons in pre-assembled pili. We found distinct H/D exchange patterns in lateral and axial intermolecular interfaces in pili. Amide protons protected from H/D exchange in pili are mainly located in the core region of the monomeric subunit and in the lateral intermolecular interface, whereas the axial intermolecular interface and the exterior region of pili are highly exposed to H/D exchange. Additionally, we performed molecular dynamics simulations of the type 1 pilus rod and estimated the probability of H/D exchange based on hydrogen bond dynamics. The comparison of the experimental observables and simulation data provides insights into stability and mechanical properties of pili.

Details

show
hide
Language(s): eng - English
 Dates: 2019-04-262019-07
 Publication Status: Published in print
 Pages: -
 Publishing info: -
 Table of Contents: -
 Rev. Method: Peer
 Identifiers: DOI: 10.1007/s10858-019-00247-3
 Degree: -

Event

show

Legal Case

show

Project information

show

Source 1

show
hide
Title: Journal of Biomolecular NMR
Source Genre: Journal
 Creator(s):
Affiliations:
Publ. Info: -
Pages: - Volume / Issue: 73 (6-7) Sequence Number: - Start / End Page: 281 - 291 Identifier: -