Computational Investigation of APOBEC3H Substrate Orientation and Selectivity

2020-03-03T06:51:45Z (GMT) 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.