Hello Jon, Indeed - in the case of NMR, as far as I understand, we can't talk about resolution (that is why I used quotes). What I need here is a structure (or ensemble of structures) to which I could hope to dock ligands with some level of accuracy - something that SAXS could not provide.
On Sun, Aug 15, 2021 at 9:48 AM Jon Cooper <jon.b.coo...@protonmail.com> wrote: > Hello, my numpty-level understanding is that being intrinsically disorder > and giving high-resolution structural data are mutually exclusive. I will > re-read your e-mails. Hope this helps. Cheers, Jon.C. > > > Sent from ProtonMail mobile > > > > -------- Original Message -------- > On 15 Aug 2021, 09:16, Sorin Draga < sor.dr...@gmail.com> wrote: > > > Hello Ethan, > > Thank you for the suggestions. I should have mentioned in my initial post > that my intention is to first conduct a high throughput virtual screening > on these proteins, thus I would need high "resolution" of the structures > which SAXS could not provide, as far as I understand. > SAXS/SAS might become useful at a later stage, when I have a small number > of potential inhibitors identified. > > Kind regards, > > Sorin > > On Sat, Aug 14, 2021 at 5:55 PM Ethan A Merritt <merr...@uw.edu> wrote: > >> It is possible that you could address some of your questions >> more quickly and much more cheaply by small-angle scattering, >> either light (SAS) or X-ray (SAXS). >> >> I would suggest looking into those avenues first. >> >> If you have well behaved (i.e. non-aggregating) purified proein >> and access to synchrotron beam time (easily requested), >> a series of SAXS experiments could probably be conducted in one day. >> I don't want to oversell SAXS, I'm not really an enthusiast. >> But this case, categorizing the interaction of two poorly ordered proteins >> in solution and in particular the facilitation or disruption of this >> interaction by small molecules, should be well within its scope. >> >> best >> >> Ethan >> >> On Saturday, 14 August 2021 14:12:40 PDT Sorin Draga wrote: >> > Hello everyone, >> > >> > I do realize that this is not a NMR focused group, but I do hope that >> there >> > are a few spectroscopists lurking around that could possibly answer a >> few >> > questions (I am more of a modeler/computationalist): >> > >> > The problem: I have two intrinsically disordered proteins that are >> known to >> > interact (let's call them 1 and 2). I would like to get structural >> > information (a conformational ensemble) for 1 and for the "complex" >> (1+2). >> > Further down the line (depending on whether this is possible) I would >> also >> > like to evaluate potential small molecule inhibitors for the said >> complex. >> > Both 1 and 2 are <200 aminoacids long. >> > >> > The questions: >> > >> > 1. Could the cost of determining the "structure" for 1 and 1+2 be >> > estimated? To be more precise, I am looking for a ball-park figure on >> how >> > much a NMR measurement would cost in this case. >> > 2. Could anyone recommend a good group/CRO that could provide such a >> > service and not have an astronomical cost? >> > 3. Any other suggestions/thoughts that you think might be worth >> mentioning >> > (minimum quantity of protein necessary, purity, type of NMR etc) >> > >> > Many thanks for your help and time! >> > >> > Cheers! >> > >> > Sorin >> > >> > ######################################################################## >> > >> > To unsubscribe from the CCP4BB list, click the following link: >> > https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 >> > >> > This message was issued to members of www.jiscmail.ac.uk/CCP4BB, a >> mailing list hosted by www.jiscmail.ac.uk, terms & conditions are >> available at https://www.jiscmail.ac.uk/policyandsecurity/ >> > >> >> >> -- >> Ethan A Merritt >> Biomolecular Structure Center, K-428 Health Sciences Bldg >> MS 357742, University of Washington, Seattle 98195-7742 >> >> >> > ------------------------------ > > To unsubscribe from the CCP4BB list, click the following link: > https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 > > ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 This message was issued to members of www.jiscmail.ac.uk/CCP4BB, a mailing list hosted by www.jiscmail.ac.uk, terms & conditions are available at https://www.jiscmail.ac.uk/policyandsecurity/
