[AMBER] how we can find that metal residue protonation state

From: Rana Rehan Khalid <rrkhalid.umich.edu>
Date: Thu, 29 Jun 2017 22:15:48 -0400

Herein the metal site Cys400 has the wrong protonation state, which should
be negatively charged "CYM" other than neutral "CYS". We need to manully
fixed this error (delete the extra "HG" atom, rename the residue to "CYM"),
here is the PDB file after modification


IN my case HIS-----Fe rather then cys so how i can find protonation state
is right or wrong
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Received on Thu Jun 29 2017 - 19:30:02 PDT