Mendeleev Communications | 2019
Modeling of the glycine tripeptide cyclization in the Ser65Gly/Tyr66Gly mutant of green fluorescent protein
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.