Computational Investigation of APOBEC3H Substrate Orientation and Selectivity

03 March 2020, Version 2
This content is a preprint and has not undergone peer review at the time of posting.

Abstract

There are several available crystal structures for APOBEC3H, however, none with bound substrate. Our manuscript presents a theoretical investigation of the binding orientation of the ssDNA substrate for the DNA deaminase APOBEC3H. Here, we have used classical MD simulations to explore the possible
binding orientation of a dsDNA substrate, as well as the possible factors leading to the observed substrate sequence selectivity.

Keywords

molecular dynamics
apobec3h
substrate binding

Supplementary materials

Title
Description
Actions
Title
A3H DNA Orientation SI
Description
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