Member Site Forums Rosetta 3 Rosetta 3 – General Docking an iron atom to a peptide Reply To: Docking an iron atom to a peptide


    Hi smlewis,

    Thanks for your speedy response!

    I was just reading Chu Wang’s 2010 paper from Protein Science, and this looked like a good starting point for designing metal binding proteins. I have a template sequence that I know binds iron, that I want to use as a design template. I have a good idea of where in this starting sequence the Fe atom should bind (4 cysteine residues).

    I was just looking through the metalloprotein_abrelax demo, and this looks almost perfect. How can I substitute the Zn atom in the demo for an Fe(III) atom?

    Thanks! and all the best,