Dear All,
I have a protein with a small molecule inhibitor that appears to adopt
two conformations. Unfortunately, one of the conformations that it
adopts is the same location as a flexible loop. So, it seems that
part of the molecule and the loop shift in a coordinated manner.
Is there any way to model those alternate conformations in a
refinement program? The positions clearly clash if I leave the loop
and small molecule in place and vise versa.
thanks for the help,
-ed collins
University of North Carolina
