Unidirectional Transport Mechanism in an ATP Dependent Exporter Article Swipe
Yanyan Xu
,
Anna Seelig
,
Simon Bernèche
·
YOU?
·
· 2017
· Open Access
·
· DOI: https://doi.org/10.1021/acscentsci.7b00068
YOU?
·
· 2017
· Open Access
·
· DOI: https://doi.org/10.1021/acscentsci.7b00068
ATP-binding cassette (ABC) transporters use the energy of ATP binding and hydrolysis to move a large variety of compounds across biological membranes. P-glycoprotein, involved in multidrug resistance, is the most investigated eukaryotic family member. Although a large number of biochemical and structural approaches have provided important information, the conformational dynamics underlying the coupling between ATP binding/hydrolysis and allocrite transport remains elusive. To tackle this issue, we performed molecular dynamic simulations for different nucleotide occupancy states of Sav1866, a prokaryotic P-glycoprotein homologue. The simulations reveal an outward-closed conformation of the transmembrane domain that is stabilized by the binding of two ATP molecules. The hydrolysis of a single ATP leads the X-loop, a key motif of the ATP binding cassette, to interfere with the transmembrane domain and favor its outward-open conformation. Our findings provide a structural basis for the unidirectionality of transport in ABC exporters and suggest a ratio of one ATP hydrolyzed per transport cycle.
Related Topics
Concepts
ATP hydrolysis
ATP-binding cassette transporter
Transmembrane domain
Nucleotide
Transmembrane protein
Cyclic nucleotide-binding domain
Biochemistry
Biophysics
Molecular dynamics
Adenosine triphosphate
Chemistry
Plasma protein binding
Transporter
ATPase
Biology
Membrane
Enzyme
Receptor
Gene
Computational chemistry
Metadata
- Type
- article
- Language
- en
- Landing Page
- https://doi.org/10.1021/acscentsci.7b00068
- OA Status
- diamond
- Cited By
- 20
- References
- 62
- Related Works
- 10
- OpenAlex ID
- https://openalex.org/W2593638292
All OpenAlex metadata
Raw OpenAlex JSON
- OpenAlex ID
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https://openalex.org/W2593638292Canonical identifier for this work in OpenAlex
- DOI
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https://doi.org/10.1021/acscentsci.7b00068Digital Object Identifier
- Title
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Unidirectional Transport Mechanism in an ATP Dependent ExporterWork title
- Type
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articleOpenAlex work type
- Language
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enPrimary language
- Publication year
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2017Year of publication
- Publication date
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2017-03-07Full publication date if available
- Authors
-
Yanyan Xu, Anna Seelig, Simon BernècheList of authors in order
- Landing page
-
https://doi.org/10.1021/acscentsci.7b00068Publisher landing page
- Open access
-
YesWhether a free full text is available
- OA status
-
diamondOpen access status per OpenAlex
- OA URL
-
https://doi.org/10.1021/acscentsci.7b00068Direct OA link when available
- Concepts
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ATP hydrolysis, ATP-binding cassette transporter, Transmembrane domain, Nucleotide, Transmembrane protein, Cyclic nucleotide-binding domain, Biochemistry, Biophysics, Molecular dynamics, Adenosine triphosphate, Chemistry, Plasma protein binding, Transporter, ATPase, Biology, Membrane, Enzyme, Receptor, Gene, Computational chemistryTop concepts (fields/topics) attached by OpenAlex
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20Total citation count in OpenAlex
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2025: 1, 2023: 1, 2022: 5, 2021: 3, 2020: 3Per-year citation counts (last 5 years)
- References (count)
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62Number of works referenced by this work
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10Other works algorithmically related by OpenAlex
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