This article is cited in 7 papers

Communications

Modeling of the glycine tripeptide cyclization in the Ser65Gly/Tyr66Gly mutant of green fluorescent protein

B. L. Grigorenko^ab, E. D. Kots^ab, A. I. Krylov^c, A. V. Nemukhin<sup>ab

a</sup> N.M. Emanuel Institute of Biochemical Physics, Russian Academy of Sciences, Moscow, Russian Federation
^b Department of Chemistry, M.V. Lomonosov Moscow State University, Moscow, Russian Federation
^c Department of Chemistry, University of Southern California, Los Angeles, USA

Abstract: The quantum mechanics/molecular mechanics approach is used to model the chain of elementary reactions involved in the backbone cyclization of the initially non-cyclized Gly65–Gly66–Gly67 tripeptide inside the protein matrix of the green fluorescent protein (GFP) Ser65Gly/Tyr66Gly mutant. The computationally characterized reaction mechanism provides support for understanding chromophore maturation in GFP-like fluorescent proteins.

Language: English

DOI: 10.1016/j.mencom.2019.03.024

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