Summary: D i i f hD i i f h Li dLi d S l i iS l i iDetermination of theDetermination of the LigandLigand SelectivitySelectivity
Mechanism in Amt/Mechanism in Amt/MepMep//RhRh SuperfamilySuperfamily
i MD Si l ii MD Si l iusing MD Simulationsusing MD Simulations
The transport of ammonium is a fundamental process across theThe transport of ammonium is a fundamental process across the
bi l i l bbi l i l b
biological membranes.biological membranes.
The members of the family of Amt/The members of the family of Amt/MepMep//RhRh, found in all domains, found in all domains
of life, are responsible for the translocation of ammonia acrossof life, are responsible for the translocation of ammonia across
cell membranes.cell membranes.
Here we determine the mechanism ofHere we determine the mechanism of ligandligand conduction andconduction andHere we determine the mechanism ofHere we determine the mechanism of ligandligand conduction andconduction and
selectivity in Amt/selectivity in Amt/MepMep//RhRh superfamilysuperfamily by performing MDby performing MD
simulations using the structures ofsimulations using the structures of AmtBAmtB and Rh50.and Rh50.
AmtBAmtB fromfrom E.ColiE.Coli
The first structure from this proteinThe first structure from this protein superfamilysuperfamily,, E. coliE. coli AmtBAmtB, has been, has been
determined at 1.35Å resolution.determined at 1.35Å resolution.
TheThe AmtBAmtB structure shows that the protein forms astructure shows that the protein forms a trimertrimer, with eleven, with eleven