Gating Mechanism of the Voltage-Gated Proton Channel Studied by Molecular Dynamics Simulations.

ABSTRACT: The voltage-gated proton channel Hv1 has important roles in proton extrusion, pH homeostasis, sperm motility, and cancer progression. The Hv1 channel has also been found to be highly expressed in cell lines and tissue samples from patients with breast cancer. A high-resolution closed-state structure has been reported for the mouse Hv1 chimera channel (mHv1cc), solved by X-ray crystallography, but the open-state structure of Hv1 has not been solved. Since Hv1 is a promising drug target, various groups have proposed open conformations by molecular modeling and simulation studies. However, the gating mechanism and the open-state conformation under the membrane potential are still debate. Here, we present a molecular dynamics study considering membrane potential and pH conditions. The closed-s

SUBMITTER: Phan TTV 

PROVIDER: S-EPMC9000549 | biostudies-literature | 2022 Mar

REPOSITORIES: biostudies-literature