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. 2014 Mar 18;9(3):e92089. doi: 10.1371/journal.pone.0092089

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© 2014 Heinzelmann, Kuyucak

This is an open-access article distributed under the terms of the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are properly credited.

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(A) Overlap between the closed (grey) and the open (purple) states in the outward EAAT3. Glutamate and three Na⁺ ions bound to the transporter, as well as the S331, D444 and R445 residues are indicated. (B) The same for the inward-facing state, showing a large movement of HP1, HP2 and TM8. The contacts made by the insertion of the R445 side-chain between HP1 and TM8 are also shown. The dark shade of grey in the closed state indicates the position of the residues from part C below. (C) Comparison of the IC-gate opening (black) with the EC-gate opening (red). The RMSD of the C atoms at the tips of HP1 and HP2 is obtained by aligning the open and closed states and calculating the RMSD from 2 ns of MD simulations.

Inline graphic — (A) Overlap between the closed (grey) and the open (purple) states in the outward EAAT3. Glutamate and three Na⁺ ions bound to the transporter, as well as the S331, D444 and R445 residues are indicated. (B) The same for the inward-facing state, showing a large movement of HP1, HP2 and TM8. The contacts made by the insertion of the R445 side-chain between HP1 and TM8 are also shown. The dark shade of grey in the closed state indicates the position of the residues from part C below. (C) Comparison of the IC-gate opening (black) with the EC-gate opening (red). The RMSD of the C atoms at the tips of HP1 and HP2 is obtained by aligning the open and closed states and calculating the RMSD from 2 ns of MD simulations.