Non-member submission forwarded by the list-owner
--------------------------------------------------------------------------
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