6 Mar
2003
6 Mar
'03
3:10 p.m.
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