Or, it could be MPD ;-?

Best wishes, Jon Cooper.
jon.b.coo...@protonmail.com

Sent from Proton Mail Android

-------- Original Message --------
On 05/06/2024 17:54, Jeroen Mesters wrote:

> Thank you for this intriguing information!
>
> At the same time, this also implies that not all entities that have been 
> modelled as MPD are actually MDP but could also be a betain, right!?…..
>
> Best,
>
> Jeroen
>
> __
> Dr. math. et dis. nat. Jeroen R. Mesters
> Biological Safety Officer (BBS)
> Deputy, Lecturer, Program Coordinator Infection Biology
> Visiting Professorship in Biophysics South Bohemian University
> University of Lübeck
> Center for Structural and Cell Biology in Medicine
> Institute of Biochemistry
> Ratzeburger Allee 160
> 23562 Lübeck
>
> https://orcid.org/0000-0001-8532-6699
>
>> Am 05.06.2024 um 18:41 schrieb Zachary A. Wood <z...@uga.edu>:
>>
>> Hello Everyone,
>>
>> It does look like trimethylglycine (betaine), but another view might help. 
>> If it is, it is also made in ecoli and PEOPLE. It is a pretty common 
>> metabolite in the microbial and animal kingdom…useful for balancing osmotic 
>> stress and stabilizing protein structure (it is a strong kosmotrope).
>>
>> Best regards,
>>
>> Z
>>
>> ***********************************************
>> Zachary A. Wood, Ph.D. (He/Him)
>> Professor and Graduate Coordinator
>>
>> Josiah Meigs Distinguished Teaching Professor
>>
>> Associate Director of SER-CAT
>> Department of Biochemistry & Molecular Biology
>> University of Georgia
>> Life Sciences Building, Rm A426B
>> 120 Green Street
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>> Office: 706-583-0304
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>>
>> From:CCP4 bulletin board <CCP4BB@JISCMAIL.AC.UK> on behalf of Jeroen Mesters 
>> <0000cf8d8aa45b08-dmarc-requ...@jiscmail.ac.uk>
>> Date:Wednesday, June 5, 2024 at 12:29 PM
>> To:CCP4BB@JISCMAIL.AC.UK<CCP4BB@JISCMAIL.AC.UK>
>> Subject:Re: [ccp4bb] Ligand identification in X-ray density
>>
>> You don't often get email 
>> from0000cf8d8aa45b08-dmarc-requ...@jiscmail.ac.uk.[Learn why this is 
>> important](https://aka.ms/LearnAboutSenderIdentification)
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>>
>> Hi,
>>
>> proteins my pick up ligands from the „source" from which they were 
>> isolated…. Looks to me like trimethylglycine, an amino-acid derivative found 
>> in plants…
>>
>> Regards,
>>
>> Jeroen
>>
>> __
>>
>> https://orcid.org/0000-0001-8532-6699
>>
>>> Am 05.06.2024 um 17:44 schrieb Khadijah Ameen Khan 
>>> <khadijahameenk...@gmail.com>:
>>>
>>> Dear All,
>>>
>>> I am a first-year PhD student in a structural biology lab. I am building a 
>>> model in 1.5 ang X-ray diffraction data. I would appreciate your 
>>> suggestions for fitting a ligand in an unknown X-ray density (attached 
>>> image) in the protein binding pocket. The details for protein purification 
>>> and crystallization buffers are below:
>>>
>>> Purification: NaCl, Tris-HCl pH 8.5, Glycerol
>>>
>>> Crystallization: Carboxylic acid mix (Sodium formate, Ammonium acetate, 
>>> Sodium citrate, Potassium Sodium Tartrate and Sodium Oxamate),Tris, Bicine 
>>> buffer, Precipitant (PEG3350, MPD)
>>>
>>> I have tried fitting all the buffer and crystallization components but none 
>>> of these components are giving the right solution (Either the difference 
>>> map gets red with increased B-factor or it remains green).
>>>
>>> I would really appreciate your input on this. I have attached an image 
>>> showing the density.
>>>
>>> Thank you.
>>
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