Data on molecular docking simulations of quaternary complexes 'Bst exo- polymerase-DNA-dCTP-metal cations'

Autor:	Ravil R. Garafutdinov, Olga Yu. Kupova, Aidar R. Gilvanov, Assol R. Sakhabutdinova
Jazyk:	angličtina
Rok vydání:	2020
Předmět:	Bst exo- DNA polymerase Cofactors Molecular docking simulations Ligand interaction diagrams Polymerase active site Computer applications to medicine. Medical informatics R858-859.7 Science (General) Q1-390
Zdroj:	Data in Brief, Vol 33, Iss , Pp 106549- (2020)
Druh dokumentu:	article
ISSN:	2352-3409
DOI:	10.1016/j.dib.2020.106549
Popis:	This article reports data related to the research article entitled “Effect of metal ions on isothermal amplification with Bst exo- DNA polymerase” (R.R. Garafutdinov, A.R. Gilvanov, O.Y. Kupova, A.R. Sakhabutdinova, 2020) [1]. Here, the results of molecular simulations of the complexes of Bst exo- DNA polymerase with dCTP triphosphate, double-stranded DNA and divalent metal cations are presented. Energetic parameters, number and type of chemical bonds formed by dCTP with the environment are given.
Databáze:	Directory of Open Access Journals
Externí odkaz:	https://doaj.org/article/b12e212da30c46f98046b262f24196ca Zobrazit plný text záznamu View record in DOAJ