Some time ago someone asked about the possibility to calculate protein
structures. I forwarded that message to some other newsgroups, commenting
that I was not sure that the xray or nmr determined structure is the same
as the natural (in vivo) structure. Here is what I got:
NOTE: Don’t ask me about details, please use the quoted e-mail adresses!
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From: r…@nmrvex.biochem.mpg.de (Alfred Ross)
Hi Rolf
another possibility beside XRAY is the use of nuclear magnetic resonance spectroscopy. Within this field an effect the so called "NUCLEAR OVERHAUSER EFFECT" is
know which contains information about distances between protons.
If you have this information about many pairs of protons you can based on geometrical calculations determine the structure of a protein.
If you want to know more – mail me.
Alfred
From: stebbic%darst-sgi.ROCKEFELLER….@ROCKVAX.ROCKEFELLER.EDU (Charles Erec Stebbins)
There is at present NO method to calculate 3-D structure of a protein (if by t.s.
tertiary strurcture). I wouldn’t be slaving away in x-ray xtallography if it were
any different, believe me. As for whether the xtal structure is the same as the cell
structure, of course there is no way to know, but for several reasons I think it is
fairly well accepted that they are the same:
1) Biological proteins usually denature rather than take on alternate
conformations (unless it has n-fold FUNCTIONAL conformations, in which
case it will still tend to denature rather than assume these cell
event specific conformations in non-biological conditions)
2) The xtal structures usually match other data and clarify the
mechanism by which the protein functions.
3) Conditions in a xtal are actually not that different than a
cell (at least as far as hydration is concerned).
Erec Stebbins
The Rockefeller University
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rolf elak r…@nite.toppoint.de | Disclaimer: Neither my employers
D-24114 kiel | opinions nor my own. Just a road-
N-8270 drag | kill on the informational highway…
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