title: ATP Hydrolysis in the RecA-DNA Filament Promotes Structural Changes at the Protein-DNA Interface.
abstract: To address the mechanistic roles of ATP hydrolysis in RecA-promoted strand exchange reaction in homologous recombination, quantum mechanical calculations are performed on key parts of the RecA-DNA complex. We find that ATP hydrolysis may induce changes at the protein-DNA interface, resulting in the rearrangement of the hydrogen bond network connecting the ATP and the DNA binding sites.
authors.affiliation: †Department of Chemistry and Molecular Biology, Gothenburg University, SE-405 30 Gothenburg, Sweden.
authors.forename: Anna
authors.initials: A
authors.lastname: Reymer
authors.affiliation: ‡Department of Chemical and Biological Engineering, Physical Chemistry, Chalmers University of Technology, SE-412 96 Gothenburg, Sweden.
authors.forename: Sándor
authors.initials: S
authors.lastname: Babik
authors.affiliation: §School of Bioscience and Biotechnology, Tokyo Institute of Technology, 2-12-1-M6-14 Ookayama, Meguro-ku, Tokyo 152-8550, Japan.
authors.forename: Masayuki
authors.initials: M
authors.lastname: Takahashi
authors.affiliation: ‡Department of Chemical and Biological Engineering, Physical Chemistry, Chalmers University of Technology, SE-412 96 Gothenburg, Sweden.
authors.forename: Bengt
authors.initials: B
authors.lastname: Nordén
authors.affiliation: ‡Department of Chemical and Biological Engineering, Physical Chemistry, Chalmers University of Technology, SE-412 96 Gothenburg, Sweden.|∥Institute of Materials Chemistry, Research Centre for Natural Sciences, Hungarian Academy of Sciences, Magyar tudósok krt. 2., H-1117 Budapest, Hungary.
authors.forename: Tamás
authors.initials: T
authors.lastname: Beke-Somfai
mesh_terms: D000255:Adenosine Triphosphate / Q000737:chemistry* / Q000378:metabolism; D004277:DNA, Single-Stranded / Q000737:chemistry* / Q000378:metabolism; D006868:Hydrolysis; D008956:Models, Chemical; D011938:Rec A Recombinases / Q000737:chemistry* / Q000378:metabolism
chemical_list: D004277:DNA, Single-Stranded; D000255:Adenosine Triphosphate; D011938:Rec A Recombinases