Zinc finger protein

Which kind of restraints did you define to maintain the geometry of the zinc finger?

To get proper results make sure to define distance restraints between:

  • all atoms coordinating the zinc (basically define the tetrahedron connecting them
  • each coordinating atom and the zinc atom.

Note that the distance restraints must have the zinc atom name between double quotes because of the + in the name.
The correct nomenclature for HADDOCK for the zinc is:

  • residue name: ZN2
  • atom name: ZN+2 (shifted one character to the left in the PDB file

Also you might use CYF for the cysteines coordinating your zinc (those will not carry the hydrogen on the sulfur)

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