Hi Hyunchul Kim, the paper that Miguel quotes concludes that the ASA doesn't show any correlation with resolution, but i would like to respectfully disagree. In the paper, the authors limit themselves to structures determined at a resolution no lower than 2.3 A. Many complex structures though are determined at much lower resolution. Especially below 3 Angstrom, many side chains are less well defined, and tend to fold onto the main chain.
As a result, one is often forced to build the interface by hand, even though hydrogen bonds at that resolution are hard to determine. So I would take any (S)ASA calculation (per residue) on a structure at a resolution lower than 3 A with a grain of biodegradable salt. In fact, any structure that misses the first solvation shell around the protein is suspect. Cheers, Rob Meijers Synchrotron Soleil Hyunchul Kim <[EMAIL PROTECTED]> wrote: Hello Miguel, Thank you for your reply. It's related to the total SASA of a protein structure but not that of per residue. However, it still give me a hint. :) Best, Hyunchul Kim On Tue, 2007-07-24 at 08:12 +0200, Miguel Ortiz-Lombardía wrote: > Hello Hyunchul Kim, > > I found this paper very interesting: > > Novotny M, Seibert M, Kleywegt GJ. > On the precision of calculated solvent-accessible surface areas. > Acta Crystallogr D Biol Crystallogr. 2007 Feb;63(Pt 2):270-4. Epub > 2007 Jan 16. > PMID: 17242521 [PubMed - indexed for MEDLINE] > > http://www.ncbi.nlm.nih.gov/sites/entrez?Db=PubMed&Cmd=ShowDetailView&TermToSearch=17242521&ordinalpos=1&itool=EntrezSystem2.PEntrez.Pubmed.Pubmed_ResultsPanel.Pubmed_RVDocSum > > It discusses most of the topics you mentioned. > There are many programs around to do that type of calculations. I tend > to use naccess. > > Best, > > > > Miguel > > > 2007/7/24, Hyunchul Kim : > I am interested in the SASA per residue. > > On Tue, 2007-07-24 at 14:43 +0900, Hyunchul Kim wrote: > > Hi all, > > > > Resolution doesn't matter when solvent accessible surface > area(SASA) is > > calculated? > > > > If resolution is poor, I think that the SASA is not likely > to be > > reliable. Then, is there any resolution cut-off for SASA > calculation? > > > > Also, when you calculate SASA, do you include NMR data, too? > > > > Any comments are welcome :) > > > > Thank you in advance. > > > > Best, > > Hyunchul Kim > > > > > > -- > correo-e: [EMAIL PROTECTED] > ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ > Je suis de la mauvaise herbe, > Braves gens, braves gens, > Je pousse en liberté > Dans les jardins mal fréquentés! > > Georges Brassens --------------------------------- Fussy? Opinionated? Impossible to please? Perfect. Join Yahoo!'s user panel and lay it on us.
