Hello again Elaine, And further to that, how do I put the two molecules together please, now that I have a possible propeptide for IL-1beta? I had a go using MatchMaker with best-aligning pair of chains and everything else at default, but I'm not sure if this is the best approach? The propeptide bound via it's N-terminus to the C-terminus of IL-1 (in rainbow depiction) and the propeptide is supposed to be at the N-terminus of the whole. Apologies it this seems totally lame, but protein structure is not my forte... I look forward to your reply, Thank you and best wishes, Maja On Oct 18, 2013, at 7:28 PM, Maja Divjak wrote:
Hi Elaine,
Thanks for the reply. I ended up using Modeler, which after much frustration, gave me some reasonable models.
Thank you and best wishes,
Maja
On Oct 18, 2013, at 3:29 AM, Elaine Meng wrote:
Dear Dr Maja Divjak, Sorry, Chimera does not do de novo modeling. Although the Chimera-Modeller interface does include untemplated loop-building, that is more appropriate for shorter missing segments within an existing protein, not entire domains or proteins. <http://www.rbvi.ucsf.edu/chimera/docs/ContributedSoftware/multalignviewer/modeller.html>
I can only recommend you do some searching of web resources and perhaps literature, as I am sure there are many programs for that kind of modeling. I have not done it myself, so I don't have any specific recommendations. Other than that, you might try asking for recommendations of what program(s) to use on some more general forum such as the computational chemistry list, CCL.net : <http://ccl.net/cgi-bin/ccl/send_ccl_message> Best, Elaine ---------- Elaine C. Meng, Ph.D. UCSF Computer Graphics Lab (Chimera team) and Babbitt Lab Department of Pharmaceutical Chemistry University of California, San Francisco
On Oct 16, 2013, at 12:04 AM, Maja Divjak <divjak.m@wehi.EDU.AU> wrote:
Hello Chimera,
I have looked high and low for the propeptide domain of IL-1 beta, but it does not exist as a PDB. I was therefore wondering what is the best approach to generating a 3d structure for the propeptide domain using the protein sequence and Chimera? If you could please outline a possible process, I would very much appreciate it. I see you have tutorials for comparative modeling, but in this case there is nothing to compare it to except other homologous sequences from the IL-1 family.
I look forward to your reply!
Thank you and best wishes,
Dr Maja Divjak, WEHI, Melbourne, Australia
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