Ontology highlight
ABSTRACT:
SUBMITTER: Hu G
PROVIDER: S-EPMC3809118 | biostudies-literature | 2012 Aug
REPOSITORIES: biostudies-literature
Hu Guodong G Chen Liao Y LY Wang Jihua J
Journal of molecular modeling 20120306 8
Aquaporin Z (AQPZ) is a tetrameric protein that forms water channels in the cell membrane of Escherichia coli. The histidine residue (residue 174) in the selectivity filter (SF) region plays an important role in the transport of water across the membrane. In this work, we perform equilibrium molecular dynamics (MD) simulations to illustrate the gating mechanism of the SF and the influences of residue 174 in two different protonation states: Hsd174 with the proton at Nδ, and Hse174 with the proto ...[more]