[modeller_usage] generating homology models of reduced disulfide bonds

Hello,

I recently obtained the xray structure of my wildtype protein which I am using as my template. This protein has a redox active disulfide (an other structural disulfides). I would like to generate homology models in which the redox active disulfide bond is broken (the model would represent the cysteines in a reduced environment).

I am new to modeler, but what I have done is edited the template PDB (wildtype) to remove the active site disulfide (SSbond) and then generated a homology model using the modified wt PDB as the template. Is this the correct approach to generating a reduced active site model?

If this is not an acceptable approach what would you suggest?

Thank you for your time, Stephanie Schaefer

University of Delaware Biochemistry PhD Student 302-831-2658