RE: Ligand search in PDB

["Kostrewa, Dirk {PRPC~Basel}" <DIRK.KOSTREWA@roche.com>]

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Dear Derek,

Manfred Hendlich's RELIBase is exactly doing what you want to do. Here is
his web site address:
http://www.pdb.bnl.gov:8081/home.html

Cheers,
Dirk.

*******************************************************
* Dirk Kostrewa                phone: +41-61-688-7750 *
* F.Hoffmann-La Roche Ltd.       fax: +41-61-688-7408 *
* PRPC-S B65/R312                                     *
* CH-4070 Basel, Switzerland                          *
* e-mail: dirk.kostrewa@roche.com                     *
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> -----Original Message-----
> From:	Derek Logan [SMTP:derek@biokemi.su.se]
> Sent:	Thursday, June 03, 1999 11:27 AM
> To:	ccp4bb@dl.ac.uk
> Subject:	Ligand search in PDB
> 
> ***  For details on how to be removed from this list visit the  ***
> ***    CCP4 home page http://www.dl.ac.uk/CCP/CCP4/main.html    ***
> 
> Dear all,
> 
> Does anyone know of a good program which could take the coordinates of a
> ligand (in my case ATP) and run a search of the PDB to find the most
> similar
> conformations out of all the complexes present? Or one which at least
> tries
> to extract the coordinates and superimpose them on the search set? There
> are
> 53 structures with ATP in the PDB and to do the analysis by hand is rather
> laborious!
> 
> Regards
> Derek
> 
> --
> Derek Logan
> Dept. of Biochemistry   tel: +46 8 16 24 54
> Stockholm University    fax: +46 8 15 36 79
> S-106 91 Stockholm
> Sweden