Hello,
there are lots of such structures, for exemple for HIV protease
structures with bound drugs. The dimer is symmetric and the drugs are
typically asymmetric. If the crystal contacts involves only the protein,
you will always have the two orientations of the bound ligand. Only if
the ligand creates an asymmetry in the contacts of the protein dimer or
is directly involved in a crystal contact, you will observe a well
ordered structure.
All the best
Wim
On 30/07/2025 11:50, Roberto Battistutta wrote:
Dear all,
I'm puzzled by a structure in which a ligand is positioned on a
crystallographic axis (with occupancy 0.5) such that its symmetric molecule is
superimposed but inverted (see below).
Any explanation as to how this is possible?
Thank you,
Roberto.
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Roberto Battistutta
Associate Professor
Department of Chemical Sciences
University of Padua
via Marzolo 1, 35131 Padova - ITALY
tel. +39.049.827.5262
fax. +39.049.827.5829
[email protected]
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--
*Wim Burmeister*
Professor
Institut de Biologie Structurale (IBS) CIBB
71 avenue des Martyrs / CS 20192
38044 Grenoble Cedex 9, FRANCE
E-mail: [email protected]
Mobile: +33 (0) 7 50 49 19 91
website
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Ce ne sont pas les faits qui rendent éco-anxieux, mais ce qu'on fait ou
ne fait pas. /
/
/Anonyme/
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