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Acetylcholinesterase in motion: Visualizing conformational changes in crystal structures by a morphing procedure
Author(s) -
ZeevBenMordehai T.,
Silman I.,
Sussman J. L.
Publication year - 2003
Publication title -
biopolymers
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.556
H-Index - 125
eISSN - 1097-0282
pISSN - 0006-3525
DOI - 10.1002/bip.10287
Subject(s) - morphing , chemistry , acetylcholinesterase , visualization , crystallography , biophysics , computer graphics (images) , computer science , artificial intelligence , enzyme , biochemistry , biology
In order to visualize and appreciate conformational changes between homologous three‐dimensional (3D) protein structures or protein/inhibitor complexes, we have developed a user‐friendly morphing procedure. It enabled us to detect coordinated conformational changes not easily discernible by analytic methods or by comparison of static images. This procedure was applied to comparison of native Torpedo californica acetylcholinesterase and of complexes with reversible inhibitors and conjugates with covalent inhibitors. It was likewise shown to be valuable for the visualization of conformational differences between acetylcholinesterases from different species. The procedure involves generation, in Cartesian space, of 25 interpolated intermediate structures between the initial and final 3D structures, which then serve as the individual frames in a QuickTime movie. © 2003 Wiley Periodicals, Inc. Biopolymers: 395–406, 2003