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Dynamics of Intact MexAB-OprM Efflux Pump: Focusing on the MexA-OprM Interface

التفاصيل البيبلوغرافية
العنوان: Dynamics of Intact MexAB-OprM Efflux Pump: Focusing on the MexA-OprM Interface
المؤلفون: Cesar A. López, Timothy Travers, Klaas M. Pos, Helen I. Zgurskaya, S. Gnanakaran
المصدر: Scientific Reports, Vol 7, Iss 1, Pp 1-17 (2017)
بيانات النشر: Nature Portfolio, 2017.
سنة النشر: 2017
المجموعة: LCC:Medicine
LCC:Science
مصطلحات موضوعية: Medicine, Science
الوصف: Abstract Antibiotic efflux is one of the most critical mechanisms leading to bacterial multidrug resistance. Antibiotics are effluxed out of the bacterial cell by a tripartite efflux pump, a complex machinery comprised of outer membrane, periplasmic adaptor, and inner membrane protein components. Understanding the mechanism of efflux pump assembly and its dynamics could facilitate discovery of novel approaches to counteract antibiotic resistance in bacteria. We built here an intact atomistic model of the Pseudomonas aeruginosa MexAB-OprM pump in a Gram-negative membrane model that contained both inner and outer membranes separated by a periplasmic space. All-atom molecular dynamics (MD) simulations confirm that the fully assembled pump is stable in the microsecond timescale. Using a combination of all-atom and coarse-grained MD simulations and sequence covariation analysis, we characterized the interface between MexA and OprM in the context of the entire efflux pump. These analyses suggest a plausible mechanism by which OprM is activated via opening of its periplasmic aperture through a concerted interaction with MexA.
نوع الوثيقة: article
وصف الملف: electronic resource
اللغة: English
تدمد: 2045-2322
Relation: https://doaj.org/toc/2045-2322
DOI: 10.1038/s41598-017-16497-w
URL الوصول: https://doaj.org/article/cf62dd8e3374478284349c2fc6b3abe6
رقم الأكسشن: edsdoj.f62dd8e3374478284349c2fc6b3abe6
قاعدة البيانات: Directory of Open Access Journals
الوصف
تدمد:20452322
DOI:10.1038/s41598-017-16497-w