CCL: Monomer to Trimer
- From: "Elaine Meng" <meng]*[cgl.ucsf.edu>
- Subject: CCL: Monomer to Trimer
- Date: Wed, 17 Mar 2010 12:59:49 -0400
Sent to CCL by: "Elaine Meng" [meng-.-cgl.ucsf.edu]
Hi Nahren,
Many different programs can build a multimer from the monomer using matrix
information in the PDB file. The matrix information can be in SMTRY, CRYST,
MTRIX, and BIOMT lines in the file.
Ideally the authors would have put information on how to make the trimer in the
BIOMT lines, but in this structure 2WKF that information is not included.
Instead you can use the SMTRY information in the file to create the whole unit
cell, which includes several trimers, and then get rid of all of the extra
chains. Another confusing thing about this structure is that it does have two
copies of the structure, chains A and B. When you create the unit cell, only
the A chains of the different copies form the trimers.
The program I work with is Chimera. To do this in Chimera:
- fetch 2wkf from the PDB (File... Fetch by ID)
- Select chain B, remove it with Actions... Atoms/Bonds... delete
- start Unit Cell (under Tools... Higher-Order Structure)
- on that tool, click Make Copies, which will give 4 trimers
Or you could make the copies first, and then delete chain B (multiple copies)
but that would be messier.
Chimera can be downloaded free of charge for any noncommercial use.
http://www.cgl.ucsf.edu/chimera/index.html
I hope this helps,
Elaine
-----
Elaine C. Meng, Ph.D.
UCSF Computer Graphics Lab (Chimera team) and Babbitt Lab
Department of Pharmaceutical Chemistry
University of California, San Francisco