Subject: Re: CCL:predict 3D structure from sequence

From: jerome=at=scs.uiuc.edu
Date: Mon, 06 Sep 2004 11:19:46 -0500

Dear Dominique, Csaba, Felipe, and all 

Dominique Vlieghe writes:
> Sadly, I must say from personal experience I agree with you, but the 
> problem remains that one often has to homology model a given receptor, 
> because a xray/nmr structure is lacking.  

I'd like to add that crystal structures themselves are not always exempt 
> from problems and may, when used as templates,  induce problems in 
subsequent HM-based  workflow. See for instance the discussions in the 
litterature about the use of the early CYP2C5 crystal structure and its 
consequences...In these cases, the origin of the problem may be a crystal 
structure rather than an 'homology modeling gone wild' 

Jerome 

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School of Chemical Sciences    University of Illinois at Urbana-Champaign
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