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Structure and Dynamics of the Actin Filament
2010
Journal of Molecular Biology
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 ATP hydrolysis rate in the filament. Simulations with different bound nucleotides and conformations of the DNase I binding loop
doi:10.1016/j.jmb.2009.11.034
pmid:19931282
pmcid:PMC2815099
fatcat:e7mrzwiqvjgx3nn72i37yxuzny