Guluronic Acid and Mannuronic Acid - Oliver Trunschke

[oliver-uwyo]

Dear Madam or Sir,

I am working on ligand-protein interactions in the context of bacterial pathogenisis.
For this purpsose I run Docking simulations between polysaccharides and a bacterial protein.
GLYCAM has been great so far that I could create 3D structures of polisaccharides of interest.
I was wanting to create Alginate as a polysaccharide with your webpage, however the structural components

beta-D-mannuronic acid and
alpha-L-guluronic acid

are not part of the selection.

It would be great if those two could be adde to the selection.

Alternatively, I did notice that you have "Man" and "Gul" already in the selection, is there a way to modify these two to obtain ManA or GulA?

Kind regards,
Oliver Trunschke

[gitoliver]

Hi Oliver,

Unfortunately they are not currently available and we would need to develop GLYCAM parameters for those residues. We're currently partnering with another group to develop bacterial residues so I'll leave this issue open as it's something that could be added in the future. I've forwarded your request to the team so they are aware.

Beset,