Re: [AMBER] uneven bond formed after cyclization of peptide

From: Xu Dong <hslinhc.gmail.com>
Date: Mon, 24 Oct 2016 09:51:56 -0400

On Thursday, October 20, 2016, Andy Watkins <andy.watkins2.gmail.com> wrote:

> I'm not convinced that using the terminal variants is correct here, as it
> adds atoms, unnecessarily, that aren't present in the final bonded
> chemistry (e.g. the C-terminal oxygen and N-terminal hydrogens). There's
> also a more abstract reasoning: after cyclization, I'd imagine that an
> ideal system would be agnostic to the way the peptide system was set up
> (i.e., since it no longer has a C-terminus, no residue should have a
> 'memory' of being C-terminal).
>
> On Thu, Oct 20, 2016 at 4:32 PM, Thakur, Abhishek <axt651.miami.edu
> <javascript:;>> wrote:
>
> > Hi
> >
> > I am trying to cyclize my peptide by making bond between N Glu terminal
> > and C SER terminal.
> >
> > But the bond formed seems to be quiet weird.
> >
> > Can anyone suggest me what should I do .
> >
> >
> >
> > Thanking you,
> >
> > Abhishek
> >
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-- 
Best Regards
Xu Dong
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Received on Mon Oct 24 2016 - 07:00:02 PDT
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