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. Author manuscript; available in PMC: 2014 Mar 25.
Published in final edited form as: Chem Biol Interact. 2012 Sep 4;203(1):67–71. doi: 10.1016/j.cbi.2012.08.014

Figure 3.

Figure 3

Distances between heterocyclic nitrogen atoms of individual conformers of oximes RS41A and RS194B and PAS residues determined in models of their Michaelis-Menten type reversible complexes (MM) and pentacoordinate reaction intermediates (TS) with a model of VX-hAChE conjugate. Distances between the oxime oxygen (-N=O) as a anionic oximate and the electrophilic phosphorus atom (P) are also shown, along with calculated energies of interaction (Etot). Amino acid atoms used in measurements were Cz for tyrosine, CE2 for tryptophan and OE for aspartate.