[AMBER] How to define trivalent Sulphur ligand atom

From: Mannan <malie_03.yahoo.co.in>
Date: Mon, 8 Nov 2010 13:30:39 +0530 (IST)

Hi,
I have a different protein with two zinc atoms and a bound ligand in PDB.
where the Suphur atom (present in the ligand) is covalently bound with two Zinc
atoms,

How to treat such atoms,
Even if I treat the Suplhur as deprotonated, the valency of the Suplhur atom is
three.
Should I tweak some where else.

I have two such proteins to deal with, while the related structure paper did not
mention anything about that
Any Help will be greatly appreciated

Mannan

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Received on Mon Nov 08 2010 - 00:30:03 PST
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