From stoutepf %-% at %-% chemsci1.es.dupont.com  Fri Sep 10 04:12:19 1993
Message-Id: <9309101311.AA06314(+ at +)chemsci1.es.dupont.com. chemsci1 chemsci1.es.dupont.com>
Date: Fri, 10 Sep 1993 09:12:19 -0500
To: rlr {*at*} acsu.buffalo.edu (Raymond L. Roskwitakski)
From: stoutepf |-at-| chemsci1.es.dupont.com (Pieter Stouten)
Subject: Re: Measuring void


On Thu, 9 Sep 1993 18:12:23, Raymond Roskwitakski <rlr %-% at %-% acsu.buffalo.edu>
wrote:

>We have a hole (or void) in a protein which enters into the
>active site. Would like to 
>determine its size quantatively,
>
Try out the all purpose modelling program WHAT IF that has an excellent
cavity search module built in. One example where the cavity search worked
beyond our expectations: we found a "hole" in the ras protein in the GTP
state, which is exactly the right size for a tyrosine to move into, and we
propose that that is exactly what happens upon hydrolysis of GTP to GDP.

WHAT IF's author Gert Vriend can be reached at Vriend |-at-| EMBL-Heidelberg.DE.

Hope this helps.
Cheers, Pieter.

 
Pieter Stouten, Senior Research Scientist    ||
Computer Aided Drug Design Group             ||
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