Dear Modeller users,
I want to build a model of a chimeric protein based on two distinct structures. I have tried as explained in the FAQ section of the manual (question 4), but I only get completely unfolded structures.
Is it possible to build a chimeric model with this procedure? Where does this problem come from? Any possible explanation or suggestion would be greatly appreciated!
To check my procedure, I have tried the following :
I used an older prediction that worked and which is based on a single template structure.
Target xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx proteinA aaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaa
I made a copy of the template structure file and renamed it to do as if there was two distinct template structures. I tried to build a kind of chimeric model based on these template structures as follow :
Target xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx proteinA aaaaaaaaaaaaaaaaaaaaaaaaaaaa---------------------------------- proteinA -------------------------aaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaa
Since the two template structures used for the prediction correspond to the same file, the relative orientation of both structures is correct (the atom coordinates are the same).
The predicted 3-D model is completely unfolded too.
Sincerely,
CHARLOTEAUX Benoit Centre de Biophysique Moleculaire Numerique Faculte Universitaire des Sciences Agronomiques de Gembloux Passage des deportes, 2 B-5030 Gembloux Belgium Tel1:+32(0)81/62.25.32 Tel2:+32(0)81/62.25.21 Fax:+32(0)81/62.25.22 e-mail: charloteaux.b@fsagx.ac.be http://www.fsagx.ac.be/bp/
I think that you can check the unfolded structures first. After all, the modeller just did homology modelling. I guest your align file should like this:
>P1;proteinA structureX:proteinA aaaaaaaaaaaaaaaaaaaaaaaaaaaa----------------------------------* >P1;proteinB structureX:proteinB ----------------------------bbbbbbbbbbbbbbbbbbbbbbbbbbbbbbbbbb* >P1;chimera sequence:chimera aaaaaaaaaaaaaaaaaaaaaaaaaaaabbbbbbbbbbbbbbbbbbbbbbbbbbbbbbbbbb*
But on this topic, I have a question. If I want to get a model from tweo different protein , how can I obtain satisfactory relative orientation of modeled domains in such cases, orient the two template structures appropriately before the modeling ?
Sincerely, Shiyong MDL in Peking University Tel1:+86(0)62757520 e-mail:syliu@mdl.ipc.pku.edu.cn http://mdl.ipc.pku.edu.cn/~syliu
On Thu, 17 Jun 2004, Benoit Charloteaux wrote: > Dear Modeller users, > > I want to build a model of a chimeric protein based on two distinct > structures. I have tried as explained in the FAQ section of the manual > (question 4), but I only get completely unfolded structures. > > Is it possible to build a chimeric model with this procedure? Where does > this problem come from? > Any possible explanation or suggestion would be greatly appreciated! > > To check my procedure, I have tried the following : > > I used an older prediction that worked and which is based on a single > template structure. > > Target xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx > proteinA aaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaa > > > I made a copy of the template structure file and renamed it to do as if > there was two distinct template structures. I tried to build a kind of > chimeric model based on these template structures as follow : > > Target xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx > proteinA aaaaaaaaaaaaaaaaaaaaaaaaaaaa---------------------------------- > proteinA -------------------------aaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaaa > > Since the two template structures used for the prediction correspond to > the same file, the relative orientation of both structures is correct > (the atom coordinates are the same). > > The predicted 3-D model is completely unfolded too. > > Sincerely, > > CHARLOTEAUX Benoit > Centre de Biophysique Moleculaire Numerique > Faculte Universitaire des Sciences Agronomiques de Gembloux > Passage des deportes, 2 > B-5030 Gembloux > Belgium > Tel1:+32(0)81/62.25.32 > Tel2:+32(0)81/62.25.21 > Fax:+32(0)81/62.25.22 > e-mail: charloteaux.b@fsagx.ac.be > http://www.fsagx.ac.be/bp/ > > > _______________________________________________ > modeller_usage mailing list > modeller_usage@salilab.org > http://salilab.org/mailman/listinfo/modeller_usage >
participants (2)
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Benoit Charloteaux
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Liu Shiyong