Comparative simulations of aquaporin family: AQP1, AQPZ, AQP0 and GlpF.
Molecular dynamics simulations were performed for four members of the aquaporin family (AQP1, AQPZ, AQP0, and GlpF) in the explicit membrane environment. The single-channel water permeability, pf, was evaluated to be GlpF approximately AQPZ > AQP1 >> AQP0, while their relative pore sizes were GlpF >> AQP1 > AQPZ >> AQP0. This relation between pf and pore size indicates that water permeability was determined not only by the channel radius, but also another competing factor. Analysis of water dynamics revealed that this factor was the single-file nature of water transport.
Hashido
Masanori
M
International Graduate School of Arts and Sciences, Yokohama City University, Tsurumi-ku, Japan.
Ikeguchi
Mitsunori
M
Kidera
Akinori
A
D000595:Amino Acid Sequence; D000818:Animals; D051398:Aquaporin 1 / Q000737:chemistry*; D020346:Aquaporins / Q000737:chemistry*; D003198:Computer Simulation; D006801:Humans; D008969:Molecular Sequence Data; D010539:Permeability; D014867:Water / Q000737:chemistry
D020346:Aquaporins; D014867:Water; D051398:Aquaporin 1