[ccp4bb]: How big is my active site?

["James Naismith" <naismith@st-andrews.ac.uk>]

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Dear BB,
		I am still digesting the comments on my last email re NADPH. I will post a
summary, after some more thought.

Does anyone know of a good way to look at the volume of an active site? This
begs the question of how one defines the extent of an active site of course.
We have a two related proteins with beta sandwich into which substrates are
bound. One site looks bigger on the screen than the other. In this case size
may matter. Does anyone have a good idea how I could go about quantifying
that? Voidoo does not recognise it as a cavity (it is not of course a
cavity, more a large dent). If I could understand the CCP4 program volume
documentation that may help but I can't. Any other approaches?

thanks
Jim


James H. Naismith                | Research mailto:naismith@st-and.ac.uk
Professor of Chemical Biology    | Teaching mailto:jhn@st-and.ac.uk
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