Ontology highlight
ABSTRACT:
SUBMITTER: Schadzek P
PROVIDER: S-EPMC4764773 | biostudies-literature | 2016 Jun
REPOSITORIES: biostudies-literature
Schadzek Patrik P Schlingmann Barbara B Schaarschmidt Frank F Lindner Julia J Koval Michael M Heisterkamp Alexander A Ngezahayo Anaclet A Preller Matthias M
Data in brief 20160213
The structure of hCx26 derived from the X-ray analysis was used to generate a homology model for hCx46. Interacting connexin molecules were used as starting model for the molecular dynamics (MD) simulation using NAMD and allowed us to predict the dynamic behavior of hCx46wt and the cataract related mutant hCx46N188T as well as two artificial mutants hCx46N188Q and hCx46N188D. Within the 50 ns simulation time the docked complex composed of the mutants dissociate while hCx46wt remains stable. The ...[more]