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Computational Investigation of APOBEC3H Substrate Orientation and Selectivity

preprint
revised on 02.03.2020, 15:47 and posted on 03.03.2020, 06:51 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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