Role of Structural Dynamics in Selectivity and Mechanism of Non-heme Fe(II) and 2-Oxoglutarate-Dependent Oxygenases Involved in DNA Repair

[Image: see text] AlkB and its human homologue AlkBH2 are Fe(II)- and 2-oxoglutarate (2OG)-dependent oxygenases that repair alkylated DNA bases occurring as a consequence of reactions with mutagenic agents. We used molecular dynamics (MD) and combined quantum mechanics/molecular mechanics (QM/MM) me...

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Vydáno v:ACS Cent Sci
Hlavní autoři: Waheed, Sodiq O., Ramanan, Rajeev, Chaturvedi, Shobhit S., Lehnert, Nicolai, Schofield, Christopher J., Christov, Christo Z., Karabencheva-Christova, Tatyana G.
Médium: Artigo
Jazyk:Inglês
Vydáno: American Chemical Society 2020
On-line přístup:https://ncbi.nlm.nih.gov/pmc/articles/PMC7256942/
https://ncbi.nlm.nih.gov/pubmed/32490196
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acscentsci.0c00312
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