Sorry for asking a non-ccp4 question. Is there any way to mine the PDB to
accumulate the structures which have similar binding site(ligand binding
pocket) with that of a particular structure. If anyone can suggest a program
to do this would be great. I want to do this computationally.
You could probably use SPASM for this - see:
http://www.ebi.ac.uk/citexplore/citationDetails.do?externalId=9917419&dataSource=MED
(for a reprint:
http://xray.bmc.uu.se/cgi-bin/gerard/reprint_mailer.pl?pref=48)
If you don't want to install the whole caboodle, you can use Mark Harris'
SPASM server - http://eds.bmc.uu.se/eds/spana.php?spasm
--Gerard
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Gerard J. Kleywegt
Dept. of Cell & Molecular Biology University of Uppsala
Biomedical Centre Box 596
SE-751 24 Uppsala SWEDEN
http://xray.bmc.uu.se/gerard/ mailto:[email protected]
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