Nanomechanics of Ig-like domains of human contactin (BIG-2).

ABSTRACT: Contactins are modular extracellular cell matrix proteins that are present in the brain, and they are responsible for the proper development and functioning of neurons. They contain six immunoglobulin-like IgC2 domains and four fibronectin type III repeats. The interactions of contactin with other proteins are poorly understood. The mechanical properties of all IgC2 domains of human contactin 4 were studied using a steered molecular dynamics approach and CHARMM force field with an explicit TIP3P water environment on a 10-ns timescale. Force spectra of all domains were determined computationally and the nanomechanical unfolding process is described. The domains show different mechanical stabilities. The calculated maxima of the unfolding force are in the range of 900-1700 pN at a loading ra

SUBMITTER: Mikulska K 

PROVIDER: S-EPMC3168757 | biostudies-literature | 2011 Sep

REPOSITORIES: biostudies-literature