Computational modeling of TRPA1 C-terminus

Vlastimil Zíma, Ivan Barvík

Division of Biomolecular Physics, Institute of Physics, Faculty of Mathematics and Physics, Charles University, Czech Republic

The ankyrin transient receptor potential channel TRPA1 belongs to a roup of membrane receptors with a great importance in transfer of sensoric information. It is a non-selective cation channel assembling a tetramer of subunits with large cytoplasmic domains. Nevertheless, TRPA1 crystals with atomic resolution are still missing.

Here, we present TRPA1 C-terminus structures obtained using homology modeling and refined by molecular dynamics simulations. Several chimeras were constructed using known structures of the cytoplasmic domain of the BK channel. A site with ability to bind calcium ions was located in the C terminus of TRPA1.

This work was supported by GAUK 426311 and grant SVV-2010-261 304.