Protein Structure Reconstruction
4
2
Entering edit mode
13.0 years ago
Plasmid ▴ 160

I am new to protein structure reconstruction. Can anyone help to find a best program or tools to reconstruct 3D structure of a part of protein that portion is missing in PDB?

protein modeling homology • 4.1k views
ADD COMMENT
4
Entering edit mode
13.0 years ago
dimkal ▴ 730

Try a program called "Modeller" from Sali's lab, which lets you model missing parts of the system. The program is free to academics and has a tutorial but it's mostly driven by running python scripts through the command line. If you're looking for more graphic-friendly approach look into Prime by Schrodinger. This program is not free, but i'm sure you can get an evaluation copy to try it out.

ADD COMMENT
0
Entering edit mode

Here is the website: http://salilab.org/modeller/ And here is a good tutorial to start with: http://salilab.org/modeller/tutorial/basic.html

ADD REPLY
0
Entering edit mode

Modeller is litte bit complicated to use. I tried to use graphic interface like Pymod and Chimera. But it still trying to get good result. I didn't found any price information in Prime's website. How much it costs? Thanks for your help.

ADD REPLY
0
Entering edit mode

i'm not sure about prime's pricing, but i know it's very expensive. Maybe your institution already has access to it, ask around. how big of a fragment are you trying to reconstruct?

ADD REPLY
1
Entering edit mode
13.0 years ago

The I-Tasser web server from Zhang lab could also do the job.

ADD COMMENT
0
Entering edit mode

I used it several years ago. Now again I used it. It's amazing a lot of update happened since I used. Thanks.

ADD REPLY
0
Entering edit mode
13.0 years ago
Zak ▴ 110

Apart from modeller, you can use Swiss model,Phyre ,these are web based servers to model protein.

ADD COMMENT
0
Entering edit mode

I used the phyre but the out put is only nearest PDB protein not whole protein. Thanks for reply.

ADD REPLY
0
Entering edit mode
13.0 years ago
João Rodrigues ★ 2.5k

If you just want to rebuild part of a protein, say, side chains, have a look at the WHATIF servers. If you want to model part of a protein, indeed use Phyre, Swiss-Model, or MODELLER. MODELLER might seem hard in the beginning but you will learn a lot from using it and it is in fact pretty straightforward for simple cases, they have pretty much "pre-built" scripts ready for you to download and use, you just need an alignment.

ADD COMMENT

Login before adding your answer.

Traffic: 2745 users visited in the last hour
Help About
FAQ
Access RSS
API
Stats

Use of this site constitutes acceptance of our User Agreement and Privacy Policy.

Powered by the version 2.3.6