AMBER: Heme and CYS !!

From: Pradipta Bandyopadhyay <>
Date: Fri, 26 Oct 2007 16:19:47 +0530

Dear all,

 My protein has a heme, whose one Carbon atom is bonded to S of Cysteine. I am taking the HEME parameters as given in the AMBER contributed parameter set. However, for forming bond between the S of Cysteine and Carbon of HEME, I am not sure
which CYS unit to take - CYS or CYM (CYX is for S-S linkage, so I don't think I should use this).

I don't want to form any new unit of cysteine. Can I do it with any exisiting unit of Cysteine? Has anybody done this?



Dr. Pradipta Bandyopadhyay
Centre for Computational Biologya and Bioinformatics
School of Information Technology
Jawaharlal Nehru University, New Delhi, INDIA
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Received on Sun Oct 28 2007 - 06:07:35 PDT
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