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Dear Jean,
another possibility is that you observe in reality 2 partially ordered
copies of your ligand in the active site which are in contact with each
other next to the negative density. Maybe at least one of them is not
really in the expected orientation or the mainchain may take the
position of a sidechain.
Greetings
Wim
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Wim Burmeister
Professeur, Membre de l'Institut Universitaire de France
Laboratoire de Virologie Moleculaire et Structurale FRE 2854 CNRS-UJF
c/o EMBL, 6 rue Jules Horowitz
B.P. 181, F-38042 Grenoble Cedex 9 FRANCE
E-mail: [EMAIL PROTECTED]
Tel: +33 (0) 476 20 72 82 Fax: +33 (0) 476 20 94 00
http://www2.ujf-grenoble.fr/pharmacie/laboratoires/gdrviro
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