Subject: CCL: X-ray or NMR structures of weakly bound complexes

From: [email-masked]
Date: Tue, 28 Jan 2003 13:55:46 -0600

CCL,

        I am looking for X-ray or NMR structures of weakly bound ligands 
(Ki > 50 uM) to proteins.  The structures should include ordered 
water.

        I am aware of several structures of weakly bound ligands in the 
PDB e.g., benzene bound to lysozyme (PDB code 1l83, pKi = 3.4), 
3-phenylpropylamine bound to trypsin (PDB code 1tnk, pKi  = 1.49), etc.  I 
have also searched the the Binding DB 
(http://www.bindingdb.org/bind/index.jsp), but there are 0 examples of 
ligands which meet this criteria.

        Can anyone help with references, structures, etc?

        Thank you,
        Jim Metz

James T. Metz, Ph.D.
Research Investigator Chemist

GPRD R46Y AP10-2
Abbott Laboratories
100 Abbott Park Road
Abbott Park, IL  60064-6100
U.S.A.

Office (847) 936 - 0441
FAX    (847) 935 - 0548

[email-masked]