On Wed, Feb 18, 2004, Stern, Julie wrote:
>
> I need to name a histidine that doesn't have a hydrogen
> on either the delta nitrogen or the epsilon nitrogen. Just
> using HIS defaults to HID which is the name for protonation
> on the delta position. HIE is the name for protonation on
> the epsilon position. HIP is the name for protonation on
> both positions. But, what would I call or how would I do
> a workaround for protonation on neither position?
>
There is no standard residue for this situation. You would have to create
one, probably by modifying HID or HIE to remove a proton, then calculating
new charges. You can name it whatever 3-letter name you want.
....good luck...dac
--
==================================================================
David A. Case | e-mail: case.scripps.edu
Dept. of Molecular Biology, TPC15 | fax: +1-858-784-8896
The Scripps Research Institute | phone: +1-858-784-9768
10550 N. Torrey Pines Rd. | home page:
La Jolla CA 92037 USA | http://www.scripps.edu/case
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Received on Wed Feb 18 2004 - 16:53:00 PST
