[AMBER] alpha 2-3 Sialyllactose in GLYCAM

From: mish <smncbr.gmail.com>
Date: Thu, 28 Jul 2011 11:29:40 +0200

Hi all:

My question is related to preparing the structure of 3' Sialyllactose using
GLYCAM. In databse (http://www.hmdb.ca/metabolites/HMDB00825) I can see that
this structure is nothing but tri-saccharides linked in fallowing way.
A-D-Neu5Ac-(2-3)-B-D-Galp-(1-4)-B-D-Glcp-(1-1)-OH
I modeled the structure in GLYCAM web interface but I can see a difference
in the structure of Neu5Ac (0SA) residue. C1 of 0SA has two oxygens O1A and
O1B making double bond with C1. This makes the sugar charged. Whereas if we
look for the structure published in article or in the same data base its
just a -COOH group. Can you please correct me if I am going in wrong
direction or whats is the possible way to overcome ? Replacing O1A or O1B
with ROH should be fine or I have to be careful about something else ?

Sincerely
Mish
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu Jul 28 2011 - 02:30:03 PDT
Custom Search