Mechanisms for Two-Step Proton Transfer Reactions in the Outward-Facing Form of MATE Transporter.

ABSTRACT: Bacterial pathogens or cancer cells can acquire multidrug resistance, which causes serious clinical problems. In cells with multidrug resistance, various drugs or antibiotics are extruded across the cell membrane by multidrug transporters. The multidrug and toxic compound extrusion (MATE) transporter is one of the five families of multidrug transporters. MATE from Pyrococcus furiosus uses H(+) to transport a substrate from the cytoplasm to the outside of a cell. Crystal structures of MATE from P. furiosus provide essential information on the relevant H(+)-binding sites (D41 and D184). Hybrid quantum mechanical/molecular mechanical simulations and continuum electrostatic calculations on the crystal structures predict that D41 is protonated in one structure (Straight) and, both D41 and D184

SUBMITTER: Nishima W 

PROVIDER: S-EPMC4816688 | biostudies-literature | 2016 Mar

REPOSITORIES: biostudies-literature