Dear Amber user,
I am trying to create .prmtop .inpcrd for a ligand-bound protein where a Met residue is coordinated to Mg of chlorophyll
I am following the tutorial
https://ambermd.org/tutorials/advanced/tutorial20/mcpbpy_heme.php
In this tutorial, a Cys residue is bound to Heme through Fe. CYS was renamed as CYM because of metal ion binding of CYS.
My question: Is there a name for Met when it binds a metal ion similar to CYS-CYM situation? If not, how to handle Met-Mg-chlorophyll situation?
Thanks,
Wu
Dr. Wu Xu
Professor of Biochemistry
Department of Chemistry
Room No. 138, Montgomery Hall
300 E. St. Mary BLVD
P.O. Box 43700
University of Louisiana at Lafayette
Lafayette, LA 70504
Telephone: 337-482-5684 (office)
337-482-6739 (lab)
Fax: 337-482-5676
Email: wxx6941.louisiana.edu<mailto:wxx6941.louisiana.edu>
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Received on Wed Oct 28 2020 - 13:00:02 PDT
