Re: [ccp4bb] Identifying an unknown ligand

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

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Subject: cryoprotectant for 1,6 hexanediol
From: HanJie_Heng Chiat Tai chemtai2001 {- at -} HOTMAIL {- dot -} COM
Date: 2009-04-02

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Subject: Re: Identifying an unknown ligand
From: Abhinav Kumar abhinavk {- at -} SLAC {- dot -} STANFORD {- dot -} EDU
Date: 2009-04-02

Subject: Re: Identifying an unknown ligand
From: Andrew Gulick gulick {- at -} HWI {- dot -} BUFFALO {- dot -} EDU
Date: 2009-04-02

My money is on:

Dithiothreitol or dithioerythritol.

Any chance they are in there? If not and you believe this copurified with
your protein, than I'd guess erythritol or threitol.

(I didn't bother trying to gauge the stereochemistry from your picture)

Cheers
Andy

On 4/2/09 1:38 PM, "Abhinav Kumar" wrote:

> Hi,
>
> I am refining a structure and have a region of unmodeled density into
> which I am trying to fit a ligand. The identity of the ligand is not
> obvious, so I modeled a bunch of dummy atoms into the density.
> Could you please have a look at the map and pdb files and help me
> identify this ligand?
>
> Please see http://smb.slac.stanford.edu/~abhinavk/UNL/unl.html
>
> Thanks
> Abhinav
>
> Stanford Synchrotron Radiation Laboratory
> Joint Center for Structural Genomics
> Mail Stop 99
> Phone: (650) 926-2992
> Fax: (650) 926-3292

--
Andrew M. Gulick, Ph.D.
-----------------------------------
(716) 898-8619
Hauptman-Woodward Institute
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Buffalo, NY 14203
-----------------------------------
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Dept. of Structural Biology, SUNY at Buffalo

http://www.hwi.buffalo.edu/Faculty/Gulick/Gulick.html
http://labs.hwi.buffalo.edu/gulick

CCP4bb navigation

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

Previous message:
Subject: cryoprotectant for 1,6 hexanediol
From: HanJie_Heng Chiat Tai chemtai2001 {- at -} HOTMAIL {- dot -} COM
Date: 2009-04-02

Next message:
Subject: Re: Identifying an unknown ligand
From: Abhinav Kumar abhinavk {- at -} SLAC {- dot -} STANFORD {- dot -} EDU
Date: 2009-04-02