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 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/
