[BioPython] filtering PDB files by resolution

Peter biopython at maubp.freeserve.co.uk
Tue Jul 10 12:33:08 UTC 2007


Link to the "Top 500" PDB page,
http://kinemage.biochem.duke.edu/databases/top500.php

Peter wrote:
> Alternatively maybe you could take the list of PDB identifiers and your 
> 1.00 Angstroms, and put these into the www.pdb.org web query interface.

Anyway, using the web interface, here are twenty structures from the 494 
unique PDB IDs on the "Richardson group's Top 500" list done by X-Ray 
crystallography with a resolution under 1.0 Angstroms:

1A6M   	1.0
1AHO 	1.0
1B0Y 	0.9
1BXO 	0.9
1BYI 	1.0
1C75 	1.0
1CEX 	1.0
1EJG 	0.5
1ETN 	0.9
1GCI 	0.8
1IXH 	1.0
1LKK 	1.0
1NLS 	0.9
1RB9 	0.9
2ERL 	1.0
2FDN 	0.9
2PVB 	0.9
3PYP 	0.9
4LZT 	0.9
7A3H 	0.9

I just pasted in the 494 unique PDB IDs (comma separated) and specified 
the x-ray resolution to be between 0.0 and 1.0

Note 1A1Y (resolution 1.05 angstroms) is now obsolete, and does not 
appear in the search results even if you relax the resolution limit.

Also watch out for the fact that some of the PDB IDs on the Top 500 list 
have been replaced:

1TAX -> 1GOK
1GDO -> 1XFF
5ICB -> 1IG5
2MYR -> 1E70

Finally, I can't see how to use the web query to search for resolutions 
from other experimental techniques - but it looks like all of the "Top 
500" were done by x-ray anyway. Do check this!

Peter




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