Berrisford
Cc: CCP4BB@jiscmail.ac.uk
Subject: Re: [ccp4bb] “Bound ligand” versus “modified residue”
Hi John
As Pavel already mentioned, the problem with the ligand covalently bonded to a
standard residue is that the bond is likely to change the geometry of the
residue for atoms that are
that there are a number of modified residues which are
> missing the one letter code for the standard parent and are currently in
> the process of correcting this issue.)
>
>
>
> In the other representation, where the modification is linked to a
> standard residue, the st
f Of Nigel Moriarty
Sent: 24 April 2019 18:55
To: CCP4BB@JISCMAIL.AC.UK
Subject: Re: [ccp4bb] “Bound ligand” versus “modified residue”
The "CYS with" means that the main chain is restrained and treated the same as
"normal" CYS.
However, I'm not sure how the sequence shoul
The "CYS with" means that the main chain is restrained and treated the same
as "normal" CYS.
However, I'm not sure how the sequence should be handled in the file
especially mmCIF. Maybe John Berrisford can comment.
Cheers
Nigel
---
Nigel W. Moriarty
Building 33R0349, Molecular Biophysics and In
Hi Ian,
perhaps there are as many answers to this as many subscribers to this list,
but personally "Cysteine with attachment" seems more logic and clear to me
than calling the whole thing a different name. Although I would also
understand arguments like if it is a CYS with an attachment it is not
r
Hello everyone,
PDB structure 4qdu contains a “modified residue”, 30V. This is joined
into the rest of the main chain by means of LINK records. In 5kwj, a
similar type of modification is described as a cysteine with a
side‐chain LINK to its “bound ligand”, 6Y3 . (These structures are just
two clea
