[Myotox] Myotoxin-II

Tue Jun 9 22:04:45 MDT 2020

Hello all
Find attached a small report for a starting ideia, a MD simulation of
Myotoxin-II interacting with free SDS molecules
Would be great hear your questions, comments and suggestions
Best regards
Francisco

Em seg., 8 de jun. de 2020 às 17:20, Borries Demeler <demeler at gmail.com>
escreveu:

> FOr me the most interesting part would be to learn the structural
> arrangement of the SDS molecules around the protein, and how it changes
> the protein itself, vs. how does it change the conformation of the
> protein in the presence of SDS so that it goes from monomer to dimer?
>
> THis is the central question we are trying to answer. If this is not the
> type of information we can get readily, what other information can be
> obtained that would give us more coarse-grained information?
>
> Thanks, -Borries
>
> P.S. please reply to myotox at biophysics.uleth.ca so everyone gets to see
> your response. Bruno and Ana may have some additional ideas as to what
> we could get out of the NMR experiments. Please feel free to tune in...
>
>
> On Mon, Jun 08, 2020 at 07:46:42PM +0000, Montina, Tony wrote:
> > Hello all,
> > I agree with Paul. An idea of what you are looking for in this first
> paper would be helpful in guiding the NMR experimental work.
> > Tony
> >
> > _______________________________________________
> > Tony Montina
> > Director, Science Operations
> > Director, Magnetic Resonance Facility
> > Instructor, Department of Chemistry and Biochemistry
> > Faculty of Arts and Science
> > The University of Lethbridge
> > Lethbridge, Alberta, Canada, T1K 3M4
> > Office: 1-403-394-3927
> > Lab: 1-403-329-2230
> >
> > From: Hazendonk, Paul <paul.hazendonk at uleth.ca>
> > Sent: June 8, 2020 1:32 PM
> > To: Borries Demeler <demeler at gmail.com>; Montina, Tony <
> tony.montina at uleth.ca>
> > Cc: Henrickson, Amy <amy.henrickson at uleth.ca>
> > Subject: Re: Myotoxin-II
> >
> > I think we need to ask ourselves what type of structural insights are
> the most important for this particular story. This will help us set the
> goals for the level of strucural information sought. Some may be achieved
> with partial imformation other may require us to do a complete spectral
> assignment. The ammount of work required, hence time, would be dramatically
> different.
> > Sent from Outlook Mobile<https://aka.ms/blhgte>
> >
> > ________________________________
> > From: Montina, Tony <tony.montina at uleth.ca<mailto:tony.montina at uleth.ca
> >>
> > Sent: Sunday, June 7, 2020 12:04:01 PM
> > To: Borries Demeler <demeler at gmail.com<mailto:demeler at gmail.com>>;
> Hazendonk, Paul <paul.hazendonk at uleth.ca<mailto:paul.hazendonk at uleth.ca>>
> > Cc: Henrickson, Amy <amy.henrickson at uleth.ca<mailto:
> amy.henrickson at uleth.ca>>
> > Subject: RE: Myotoxin-II
> >
> > Hello Borries,
> > I believe that Mike used most of the sample that Amy gave him to make up
> the myotoxin in D2O and PBS.
> > It would probably be worthwhile to ask Bruno to send more, as we will
> want to prepare the NMR samples under several conditions.
> > For example, we might want a sample (as you suggested) with SDS, we
> might want another sample with H2O and D2O (for exchange purposes), etc.
> > Amy would have a better idea of how much she just gave us, but I would
> suggest two to three times that amount.
> > Does that work
> > Tony
> >
> > _______________________________________________
> > Tony Montina
> > Director, Science Operations
> > Director, Magnetic Resonance Facility
> > Instructor, Department of Chemistry and Biochemistry
> > Faculty of Arts and Science
> > The University of Lethbridge
> > Lethbridge, Alberta, Canada, T1K 3M4
> > Office: 1-403-394-3927
> > Lab: 1-403-329-2230
> >
> > -----Original Message-----
> > From: Borries Demeler <demeler at gmail.com<mailto:demeler at gmail.com>>
> > Sent: June 5, 2020 4:23 PM
> > To: Hazendonk, Paul <paul.hazendonk at uleth.ca<mailto:
> paul.hazendonk at uleth.ca>>
> > Cc: Montina, Tony <tony.montina at uleth.ca<mailto:tony.montina at uleth.ca>>;
> Henrickson, Amy <amy.henrickson at uleth.ca<mailto:amy.henrickson at uleth.ca>>
> > Subject: Re: Myotoxin-II
> >
> > Caution: This email was sent from someone outside of the University of
> Lethbridge. Do not click on links or open attachments unless you know they
> are safe. Please forward suspicious emails to phishing at uleth.ca<mailto:
> phishing at uleth.ca>.
> >
> > Tony/Amy, Paul mentioned that we could do this experiment in the
> presence of SDS. How much material would we need and how much do we still
> have on hand? If we don't have enough we should contact Bruno and ask him
> to milk some more snakes :) -b.
> >
> >
> > On Fri, Jun 05, 2020 at 07:02:11PM +0000, Hazendonk, Paul wrote:
> > > Hi Borries
> > >
> > > We have a 1D proton that makes sense to me now. We have some T1 data.
> I am waiting for the T2 and DOSY results. Mike could you updaye us on when
> these will be done.
> > >
> > > Cheers
> > >
> > > Paul
> > >
> > > Sent from Outlook Mobile<https://aka.ms/blhgte>
> > >
> _______________________________________________
> Myotox mailing list
> Myotox at biophysics.uleth.ca
> http://demeler7.uleth.ca/mailman/listinfo/myotox
>

-- 
-- 
Francisco Gomes Neto
Pesquisador Assistente
Laboratório de Toxinologia
Instituto Oswaldo Cruz
Pavilhão Ozório de Almeida, Sala 5
Fundação Oswaldo Cruz-FIOCRUZ
Ave. Brasil, 4365 - Manguinhos
Caixa Postal 926
CEP 21040-900
Rio de Janeiro, RJ, Brasil.
Tel.: (55-21) 2562-1263
Fax : (55-21) Lab. 2562-1410
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