Haddock and covalent complex

Dear All,
in my receptor protein I have a sugar covalently attached to an asp residue.
I would like to keep the bond during the docking simulation.
Is this possible ?
Thanks !
GIA

The 2.4 server can handle glycans. For the list of supported glycans see:

https://bianca.science.uu.nl/haddock2.4/library

But the link we support is to ASN (the usual linkage) and not ASP.

Hi,

Thanks for this !

Could I swap my Asp to Asn during the simulation, and then put it back to Asp, what do you think ?

Cheers,

GIA

You can try indeed. But ASP is not a common linkage for glycans if I am correct

mmm… the glc is no longer attached to the Asn residue at the end of calculation.
is there a special keyword i should add ?

Did you name your glycans according to the info given on the webpage in the previous message?

Can you share the link to your run?

Hi,

yes what is your private email ?

thanks a lot

GIA

Send it to haddock.support@gmail.com

Hi

done, mail sent.

Thanks

GIA