[phenixbb] refining a covalent-bound ligand

Sebastiano Pasqualato sebastiano.pasqualato at gmail.com
Thu Feb 22 05:13:33 PST 2018

Hi there,
I have a pretty basic question.
I am refining a structure in which a drug has been covalently linked to a Cys of the protein.
I have generated the .cif fie for the ligand, but I don’t know how to tell the program that carbon C04 has to be covalently linked to the SG of the Cys. Is that sufficient to insert a LINK record in the pdb file? What is the correct syntax for that?
Thanks a lot for the feedback and sorry for the naive question,

Sebastiano Pasqualato, PhD
Crystallography Unit
Department of Experimental Oncology
European Institute of Oncology
via Adamello, 16
20139 - Milano

tel +39 02 9437 5167
fax +39 02 9437 5990
web http://is.gd/IEOXtalUnit

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