4.1 Article

Nucleotide insertion initiated by van der Waals interaction during polymerase beta DNA replication

Journal

JOURNAL OF CHEMICAL SCIENCES
Volume 125, Issue 5, Pages 1223-1235

Publisher

INDIAN ACAD SCIENCES
DOI: 10.1007/s12039-013-0452-4

Keywords

Interacting biomolecules; peptide-bond formation; generalized van der Waals interaction; ionization energy theory

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We present here an unambiguous theoretical analyses and to show that the exclusive biochemical reaction involved in a single nucleotide insertion into the DNA primer can be efficiently tracked using the renormalized van der Waals (vdW) interaction of a stronger type, the Hermansson blue-shifting hydrogen bond effect, and the Arunan composite hydrogen-vdW bond. We find that there are two biochemical steps involved to complete the insertion of a single base (cytosine) into the 3' end of a DNA primer. First, the O3' (from a DNA primer) initiates the nucleophilic attack on P (alpha) (from an incoming dCTP), in response, O3 (alpha) (bonded to P (alpha) ) interacts with H' (bonded to O3'). These interactions are shown to be strongly interdependent and require the forming and breaking of P-O and H-O covalent bonds, which in turn imply that we do not need any external energy supply.

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