Modeling P-loops domain of sodium channel: homology with potassium channels and interaction with ligands.

ABSTRACT: A large body of experimental data on Na+ channels is available, but the interpretation of these data in structural terms is difficult in the absence of a high-resolution structure. Essentially different electrophysiological and pharmacological properties of Na+ and K+ channels and poor identity of their sequences obstruct homology modeling of Na+ channels. In this work, we built the P-loops model of the Na+ channel, in which the pore helices are arranged exactly as in the MthK bacterial K+ channel. The conformation of the selectivity-filter region, which includes residues in positions -2 through +4 from the DEKA locus, was shaped around rigid molecules of saxitoxin and tetrodotoxin that are known to form multiple contacts with this region. Intensive Monte Carlo minimization that started fr

SUBMITTER: Tikhonov DB 

PROVIDER: S-EPMC1304997 | biostudies-literature | 2005 Jan

REPOSITORIES: biostudies-literature