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Structural characterization of two metastable ATP-bound states of P-Glycoprotein

O’Mara, Megan L.; Mark, Alan E.

Description

ATP Binding Cassette (ABC) transporters couple the binding and hydrolysis of ATP to the transport of substrate molecules across the membrane. The mechanism by which ATP binding and/or hydrolysis drives the conformational changes associated with substrate transport has not yet been characterized fully. Here, changes in the conformation of the ABC export protein P-glycoprotein on ATP binding are examined in a series of molecular dynamics simulations. When one molecule of ATP is placed at the ATP...[Show more]

CollectionsANU Research Publications
Date published: 2014-03-14
Type: Journal article
URI: http://hdl.handle.net/1885/16072
Source: PLoS ONE
DOI: 10.1371/journal.pone.0091916

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