Reply To: [Solved] Docking in metalloprotease (Zinc problem)

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February 4, 2010 at 6:13 pm #4335
Anonymous

    Update:

    Sorry, #1 in the previous post was incorrect, the atom name should be “ZN”, not “Zn2p” (see /minirosetta_database/chemical/residue_type_sets/fa_standard/metal_ions/ZN.params)

    Also make sure that you make the Zn residue a separate chain, as it is not part of a polypeptide chain (for example, designate it chain ‘X’).

    Here’s an example of a Rosetta-friendly Zn in PDB format:

    ATOM 1598 ZN ZN X 400 13.611 16.296 24.802 1.00 26.91 ZN