Protein+Metal Ion?

[Modeller Care <modeller-care@ucsf.edu>]

Non-member submission forwarded by the list-owner
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I would like to model a protein that contains Zn in the active site.  In =
the template structure, two His residues are coordinated to the Zn.  The =
target sequence also has these residues and the sequences display > 50% =
identity.  How do I force the His residues to similarly coordinate the =
Zn in the modelled structure?  If the Zn atom is in .pdb file, modeller =
doesn't seem to notice.  Without the Zn atom present,  the His =
sidechains simply flop around in the active site (not surprisingly).

Marc Campitelli