Molecular dynamics simulations of Na+ and leucine transport by LeuT
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Description
Molecular dynamics simulations are used to gain insight into the binding of Na+ and leucine substrate to the bacterial amino acid transporter LeuT, focusing on the crystal structures of LeuT in the outward-open and inward-open states. For both conformations of LeuT, a third Na+ binding site involving Glu290 in addition to the two sites identified from the crystal structures is observed. Once the negative charge from Glu290 in the inward-open LeuT is removed, the ion bound to the third site is...[Show more]
Collections | ANU Research Publications |
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Date published: | 2015 |
Type: | Journal article |
URI: | http://hdl.handle.net/1885/98463 |
Source: | Biochemical and Biophysical Research Communications |
DOI: | 10.1016/j.bbrc.2015.06.143 |
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01_Chen_Molecular_dynamics_simulations_2015.pdf | 958.5 kB | Adobe PDF | Request a copy |
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