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

O’Mara, Megan L.; Mark, Alan E.


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
Source: PLoS ONE
DOI: 10.1371/journal.pone.0091916


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