Article
Altered ionization of the B13 Glu in insulin B9 and B10 mutants: a computational analysis.
Protein engineering, design & selection : PEDS - 1 Jul 2004
Greaves Richard B, Dodson Guy G, Verma Chandra S
Abstract excerpt
An experimentally determined pK(a) change of +2.50 units has been reported for the B13 Glu residue in a dimeric B9 Ser --> Asp insulin mutant relative to the native dimer. Poisson-Boltzmann electrostatics-based pK(a) calculations were performed to probe the effect of the B9 Ser --> Asp and B10 His --> Asp mutations on aggregation and the ionization behaviour of the B13 carboxylate. The method produced shifts of...
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