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Proceedings Paper

Chromophore formation in GFP: computational modeling of the immature form of wild-type GFP
Author(s): Nathan P. Lemay; Marc Zimmer
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Paper Abstract

The main reason green fluorescent protein (GFP) is so useful in molecular imaging is the fact that its chromophore is formed autocatalytically. We have been using molecular mechanics to examine chromophore formation since 1995 that is well before the first crystal structures of GFP were solved. Our calculations have resulted in a number of predictions that have been borne out by subsequent experiments and a number of them that haven't. Recently we have been supplementing these calculations with calculations based on the crystal structures of immature GFP mutants (i.e. the precyclized form). Preliminary results from these calculations have shown that immature GFP does form a tight-turn in the chromophore forming region, and that chromophore cyclization is probably catalyzed in the manner proposed by Getzoff et al (Biochemistry 44: 1960-1970, 2005).

Paper Details

Date Published: 14 February 2007
PDF: 7 pages
Proc. SPIE 6449, Genetically Engineered and Optical Probes for Biomedical Applications IV, 644916 (14 February 2007); doi: 10.1117/12.708281
Show Author Affiliations
Nathan P. Lemay, Connecticut College (United States)
Marc Zimmer, Connecticut College (United States)

Published in SPIE Proceedings Vol. 6449:
Genetically Engineered and Optical Probes for Biomedical Applications IV
Samuel Achilefu; Alexander Pavlovich Savitsky; Rebekka M. Wachter; Darryl J. Bornhop; Ramesh Raghavachari, Editor(s)

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