One of the goals of protein engineering is to design mutants with improved biological profiles, i.e., broader specificity and elevated catalytic activity. Here, we propose a novel, fast and general protocol, based on new GRID/BIOCUBE4mf descriptors, to rank mutants for their ability to affect the pattern of interaction with the ligand, and thus their biological profile. The efficacy of the strategy is proven by establishing relationships between a new descriptor (SumΔn%) and Michaelis constants (K M) for a series of pentalenene synthase mutants.

GRID/BIOCUBE4mf to rank the influence of mutations on biological processes to design ad hoc mutants

ERMONDI, Giuseppe;CARON, Giulia
2015-01-01

Abstract

One of the goals of protein engineering is to design mutants with improved biological profiles, i.e., broader specificity and elevated catalytic activity. Here, we propose a novel, fast and general protocol, based on new GRID/BIOCUBE4mf descriptors, to rank mutants for their ability to affect the pattern of interaction with the ligand, and thus their biological profile. The efficacy of the strategy is proven by establishing relationships between a new descriptor (SumΔn%) and Michaelis constants (K M) for a series of pentalenene synthase mutants.
2015
24
6
2612
2620
http://link.springer.com/article/10.1007%2Fs00044-015-1333-9
GRID/BIOCUBE4mf, Conformational effects, In silico, Point mutation
C. Rosso; G. Ermondi; G. Caron
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/2318/1508112
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