Hi James, Could you shed some light on the costs involved? This has been done also in the case of the 2 proteins that I am interested in - however the data is not publically available and the authors of the articles are reluctant to share the data, which I could understand.
Many thanks! On Sun, Aug 15, 2021 at 9:58 AM Krieger, James M <krieg...@pitt.edu> wrote: > It is possible to get an ensemble for an intrinsically disordered segment > from NMR. We did this in > https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4008819/ > > Best wishes > James > > On Aug 15, 2021, at 14:48, Jon Cooper < > 0000488a26d62010-dmarc-requ...@jiscmail.ac.uk> 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 >> <https://nam12.safelinks.protection.outlook.com/?url=https%3A%2F%2Fwww.jiscmail.ac.uk%2Fcgi-bin%2FWA-JISC.exe%3FSUBED1%3DCCP4BB%26A%3D1&data=04%7C01%7Ckriegerj%40PITT.EDU%7C81be612bbf0046c2a80708d95ff363c5%7C9ef9f489e0a04eeb87cc3a526112fd0d%7C1%7C1%7C637646321233089806%7CUnknown%7CTWFpbGZsb3d8eyJWIjoiMC4wLjAwMDAiLCJQIjoiV2luMzIiLCJBTiI6Ik1haWwiLCJXVCI6Mn0%3D%7C1000&sdata=w5BSLOPCAO57WLhqVGUkw2z4u6zJER44fj3GOH09QQg%3D&reserved=0> >> > >> > This message was issued to members of www.jiscmail.ac.uk/CCP4BB >> <https://nam12.safelinks.protection.outlook.com/?url=http%3A%2F%2Fwww.jiscmail.ac.uk%2FCCP4BB&data=04%7C01%7Ckriegerj%40PITT.EDU%7C81be612bbf0046c2a80708d95ff363c5%7C9ef9f489e0a04eeb87cc3a526112fd0d%7C1%7C1%7C637646321233089806%7CUnknown%7CTWFpbGZsb3d8eyJWIjoiMC4wLjAwMDAiLCJQIjoiV2luMzIiLCJBTiI6Ik1haWwiLCJXVCI6Mn0%3D%7C1000&sdata=ketHMJUWLgjFxVM6z1VnJh%2BgRsF7yx%2F1xAF7ZXsqANQ%3D&reserved=0>, >> a mailing list hosted by www.jiscmail.ac.uk >> <https://nam12.safelinks.protection.outlook.com/?url=http%3A%2F%2Fwww.jiscmail.ac.uk%2F&data=04%7C01%7Ckriegerj%40PITT.EDU%7C81be612bbf0046c2a80708d95ff363c5%7C9ef9f489e0a04eeb87cc3a526112fd0d%7C1%7C1%7C637646321233099802%7CUnknown%7CTWFpbGZsb3d8eyJWIjoiMC4wLjAwMDAiLCJQIjoiV2luMzIiLCJBTiI6Ik1haWwiLCJXVCI6Mn0%3D%7C1000&sdata=6gVyWfiVMUKD%2B6zeSp34YCAkrxAfhVIO76lFUj7do2I%3D&reserved=0>, >> terms & conditions are available at >> https://www.jiscmail.ac.uk/policyandsecurity/ >> <https://nam12.safelinks.protection.outlook.com/?url=https%3A%2F%2Fwww.jiscmail.ac.uk%2Fpolicyandsecurity%2F&data=04%7C01%7Ckriegerj%40PITT.EDU%7C81be612bbf0046c2a80708d95ff363c5%7C9ef9f489e0a04eeb87cc3a526112fd0d%7C1%7C1%7C637646321233099802%7CUnknown%7CTWFpbGZsb3d8eyJWIjoiMC4wLjAwMDAiLCJQIjoiV2luMzIiLCJBTiI6Ik1haWwiLCJXVCI6Mn0%3D%7C1000&sdata=6WcZwMkjewN8i0DxylwPKmzuK%2BP79GPe9XkBRQVqzzk%3D&reserved=0> >> > >> >> >> -- >> 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 > <https://nam12.safelinks.protection.outlook.com/?url=https%3A%2F%2Fwww.jiscmail.ac.uk%2Fcgi-bin%2FWA-JISC.exe%3FSUBED1%3DCCP4BB%26A%3D1&data=04%7C01%7Ckriegerj%40PITT.EDU%7C81be612bbf0046c2a80708d95ff363c5%7C9ef9f489e0a04eeb87cc3a526112fd0d%7C1%7C1%7C637646321233109796%7CUnknown%7CTWFpbGZsb3d8eyJWIjoiMC4wLjAwMDAiLCJQIjoiV2luMzIiLCJBTiI6Ik1haWwiLCJXVCI6Mn0%3D%7C1000&sdata=49%2B5a6Vil1k0NYLADuvx8olXN4C0ktOFFG4b3qhqRGc%3D&reserved=0> > > ------------------------------ > > To unsubscribe from the CCP4BB list, click the following link: > https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 > <https://nam12.safelinks.protection.outlook.com/?url=https%3A%2F%2Fwww.jiscmail.ac.uk%2Fcgi-bin%2FWA-JISC.exe%3FSUBED1%3DCCP4BB%26A%3D1&data=04%7C01%7Ckriegerj%40PITT.EDU%7C81be612bbf0046c2a80708d95ff363c5%7C9ef9f489e0a04eeb87cc3a526112fd0d%7C1%7C1%7C637646321233109796%7CUnknown%7CTWFpbGZsb3d8eyJWIjoiMC4wLjAwMDAiLCJQIjoiV2luMzIiLCJBTiI6Ik1haWwiLCJXVCI6Mn0%3D%7C1000&sdata=49%2B5a6Vil1k0NYLADuvx8olXN4C0ktOFFG4b3qhqRGc%3D&reserved=0> > > > ------------------------------ > > 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/
