[ccp4bb]: compare active sites : résumé

[Valérie Biou <valerie.biou@ibs.fr>]

Thanks to the persons who answered my question about structure comparisons.

I was looking for a program to compare active sites of enzymes that bind the same ligand but do not have the same fold. The program should propose alignments of the two substructures with aminoacids of similar chemical properties in equivalent positions.

In summary, there seem to be two programs available publicly to do this :

Gerard Kleywegt's SPASM available at http://xray.bmc.uu.se/usf

and Andrew Martin's ProFit at http://www.biochem.ucl.ac.uk/~martin/

Eleanor suggested to contact Tom Oldfield, but his program is not distributed.

.. Valerie

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Valerie Biou                         Institut de Biologie Structurale
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