Re: about protonation of HIS in membrane protein

From: Aaron Oakley (oakley_at_rsc.anu.edu.au)
Date: Wed Apr 13 2005 - 19:10:18 CDT

I would not recommend setting all HIS to HSE.

A better judgment can be made by simply examining
the local hydrogen bonding environment. That's
what we do when determining His, Asn and Gln
side-chain conformation when building crystal structures.

a++

On 14/04/2005, at 12:21 AM, Baoqiang Cao wrote:

> Hi there,
>
> Usually we set HIS as HSE for simplicity, I am just wondering, isn't
> it more correct if we set it according to its position, I mean,
> cytoplasmic, inter membrance, periplasmic? If so, could anybody point
> out some references related to settings? If not, any comments, please!
> Anyway, any comments will be welcomed.
> Thanks.
>
> Best,
> Baoqiang Cao
>
>
---------------------------------------------------------
Structural Biology Group
Research School of Chemistry
Australian National University
Science Road
Canberra
ACT 0200
Australia

Phone: (02) 6125 8325
Fax: (02) 6125 0750
---------------------------------------------------------

This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:39:20 CST