Re: [ccp4bb] oxidised cys

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CCP4bb <-- 1999 <-- November 1999 <-- 30 November 1999

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From: John Bruning jbruning {- at -} SCRIPPS {- dot -} EDU
Date: 2007-04-10

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Date: 2007-04-10

Subject: Re: oxidised cys
From: artem {- at -} XTALS {- dot -} ORG artem {- at -} XTALS {- dot -} ORG
Date: 2007-04-10

Hi Stefano,

How certain are you that this link is truly what you think it is? If I
understand what you're saying - you want to create a (thioperoxythio) link
- this chemistry should be hideously unstable. Can you explain this using
disorder, or perhaps the residual density is a symmetry artifact?

Regards,

Artem

> Dear all
> in my structure I think I can see an oxidised Cys in cys-SO. Refining
> cys-SO
> I observe a residual density between the oxigen of one oxidised cys and
> the
> one of the other molecule in AU.
> I'd like to try to refine it as cys-SO-OS-cys. I didn't find an example of
> it in the pdb database. Could anyone tell me whether there are other
> cases?
> I guess I just didn't find them.
> Second question:
> How could I "explain" to refmac that there is the OO bond?
> I tried to write a line similar to the one for SSBOND in the pdb header
> OOBOND 1 CEA A 42 CEA D 42
> but refmac couldn't care less...
>
> thanks in advance
>
> Stefano
>
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CCP4bb navigation

CCP4bb <-- 1999 <-- November 1999 <-- 30 November 1999

Previous message:
Subject: SAD question
From: John Bruning jbruning {- at -} SCRIPPS {- dot -} EDU
Date: 2007-04-10

Next message:
Subject: Stretching Modelled B-DNA - Programs
From: Balvinder Dhaliwal balvinder {- dot -} dhaliwal {- at -} GMAIL {- dot -} COM
Date: 2007-04-10