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Computational Investigation of APOBEC3H Substrate Orientation and Selectivity

preprint
revised on 02.03.2020 and posted on 03.03.2020 by Mark A. Hix, G. Andres Cisneros
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.

Funding

NIH R01GM108583

History

Email Address of Submitting Author

andres@unt.edu

Institution

University of North Texas

Country

USA

ORCID For Submitting Author

0000-0001-6629-3430

Declaration of Conflict of Interest

no conflicts of interest

Version Notes

version 2.0

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in The Journal of Physical Chemistry B

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