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Hello All,

I have two questions about refinement with Refmac5.

 

1.  I have a protein structure that is C-terminally amidated.  What is the best way to handle this?

I was trying to use the sketcher to create my own library definition for the modifed amino acid, but then I had issues with the modified amino acid not being covalently linked to the rest of the protein.  I’m guessing there is a better way, such as creating a definition for just the additional NH2 group and telling refmac how to covalently link it to the last amino acid, but I’m not sure how to do this.

 

2.  I have a structure with maltose in it.  The refmac library definition for maltose has atoms “O1” and “O1,” mislabeled as Carbons.  How can I correct this?

I know I can change it with the sketcher, but then it tells me the name MAL is already taken and I have to use another.  I’d prefer to leave it as the standard MAL name.

 

Thanks for any help.  I apologize if these issues have been covered before.

Augie

 

Augen Pioszak, Ph.D.

Postdoctoral Fellow

Laboratory of Structural Sciences

Van Andel Research Institute

333 Bostwick Ave. N.E.

Grand Rapids, MI  49503

phone:  (616) 234-5399

email:  [log in to unmask]

 
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