Computational prediction of actin-actin interaction.

ABSTRACT: Actin is one of the most abundant proteins in eukaryotic cells, where it plays key roles in cell shape, motility, and regulation. Actin is found in globular (G) and filamentous (F) structure in the cell. The helix of actin occurs as a result of polymerization of monomeric G-actin molecules through sequential rowing, is called F-actin. Recently, the crystal structure of an actin dimer has been reported, which details molecular interface in F-actin. In this study, the computational prediction model of actin and actin complex has been constructed base on the atomic model structure of G-actin. To this end, a docking simulation was carried out using predictive docking tools to obtain modeled structures of the actin-actin complex. Following molecular dynamics refinement, hot spots interactions a

SUBMITTER: Unlu A 

PROVIDER: S-EPMC3889520 | biostudies-literature | 2014 Jan

REPOSITORIES: biostudies-literature