Journal
ORGANIC & BIOMOLECULAR CHEMISTRY
Volume 4, Issue 2, Pages 206-210Publisher
ROYAL SOC CHEMISTRY
DOI: 10.1039/b512969a
Keywords
-
Categories
Ask authors/readers for more resources
Modelling of the first step of the deacylation reaction of benzylpenicllin in the E. coli TEM1 P-lactamase (with B3LYP/6-31G + (d)//AM1-CHARMM22 quantum mechanics/molecular mechanics methods) shows that a mechanism in which Glu166 acts as the base to deprotonate a conserved water molecule is both energetically and structurally consistent with experimental data; the results may assist the design of new antibiotics and P-lactamase inhibitors.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available