Subject: xray resolution vs. inhib. design

From: <[email-masked]>
Date: Wed, 14 Feb 1996 15:56:14 -0500 (EST)

Distinguished scientists,

I am trying to acquire some data on what atomic resolution is required of an
x-ray crystal structure of an enzyme or enzyme-receptor complex, in order to
successfully undertake a structure-based inhibitor design project.

Has anyone seen (or actually written) an article mentioning what resolution
requirements on the protein structure exist for various design approaches?  For
example, an iterative design-crystallization-design scheme, de novo inhibitor
design, qualitative guidance for inhibitor optimization, or at what resolution
is the structure pretty useless?

I am hoping someone may have written this, perhaps as an off-hand remark based
on their experiences in the field.  If someone has completed an in-depth study
on exactly this topic, well, that would be great, but I've never seen this type
of data.  I have heard rules of thumb thrown around, and I was wondering if
these were documented anywhere.

Thanks for your help.

Dan Pernich
[email-masked]
DowElanco
Indianapolis, IN 46268
(317) 337-3084