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 ||
The Du Pont Merck Pharmaceutical Company || Adventures get spoiled
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