Ontology highlight
ABSTRACT:
SUBMITTER: Pfaendtner J
PROVIDER: S-EPMC2815099 | biostudies-literature | 2010 Feb
REPOSITORIES: biostudies-literature
Pfaendtner Jim J Lyman Edward E Pollard Thomas D TD Voth Gregory A GA
Journal of molecular biology 20091118 2
We used all-atom molecular dynamics simulations to investigate the structure and properties of the actin filament, starting with either the recent Oda model or the older Holmes model. Simulations of monomeric and polymerized actin show that polymerization changes the nucleotide-binding cleft, bringing together the Q137 side chain and bound ATP in a way that may enhance the ATP hydrolysis rate in the filament. Simulations with different bound nucleotides and conformations of the DNase I binding l ...[more]