AMBER Archive (2006)

Subject: AMBER: Zinc coordinating CYS

From: Nitin Bhardwaj (
Date: Thu Jul 27 2006 - 16:30:45 CDT

Dear amber users,
     I have three cystines coordinating a zinc atom. When i load the
protein with the zinc atom, it adds hydrogen atoms to the sulphurs and
they break the coordination of the zinc atom by the sulphurs. I read
about it and saw that another Cys type "CYX" could be used for it. But
then i need to specify the bond between the sulphurs. So, I was

1) can CYX residue type be used to keep the coordination of zinc by
the sulphurs?

2) how do I go about doing that? Is there a tutorial available to
crosslink and coordinate zinc?

thanks a lot in advance,
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