Dear Justin,
Well, we do have Acy (acetic acid). We also have Ace (acetyl group).
Unfortunately both are of type 'other'. Worse than that, neither has the
links that would allow you to connect them to an amino acid. That is a
side effect of creating 7000+ ChemComps automatically from PDB ligands
without having time to curate them one by one. You can put Ace
(recommended) in the right spot following the procedure used for making
molecules with non-standard building blocks (NMR EWKI, Molecule Howtos),
and live with the fact that the link will not be formally entered. Or you
can use ChemBuild to make your own version of Acy with teh aoppropriate
hooks.
At some point we shall have to go through our ChemComp library and add
these hooks, otherwise we will be gerting in troiuble with everybody
making and naming their own varianta. But for now we do not have time.
All the best,
Rasmus
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Dr. Rasmus H. Fogh Email: [log in to unmask]
Dept. of Biochemistry, University of Cambridge,
80 Tennis Court Road, Cambridge CB2 1GA, UK. FAX (01223)766002
On Thu, 10 May 2012, Justin Lecher wrote:
> Hi,
>
> I would like to add an Nterminal Acetyl to my sequence.
>
> From
> https://www.jiscmail.ac.uk/cgi-bin/webadmin?A2=CCPNMR;4e4f9b30.1103
> I should simply add Acy as a terminal residue, but analysis doesn't
> allow this with
> "Residue code(s) Acy cannot be found for molecule type protein".
> The terminal shows
>
> Cannot find file:
> Cannot find ChemComp XML file protein, Acy.
>
> My mistake or broken? still a wrong url somewhere?
>
> Thanks for help,
>
> justin
>
> --
> Justin Lecher
> Institute of Complex Systems
> ICS-6 Structural Biochemistry
> Research Centre Juelich
> 52425 Juelich, Germany
> phone: +49 2461 61 2117
>
>
>
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