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. Author manuscript; available in PMC: 2008 Dec 4.

Published in final edited form as: Biochemistry. 2007 Nov 8;46(48):13819–13828. doi: 10.1021/bi701249q

Docking models of (R)-2 (A) and (S)-2 (B) with pig liver GABA-AT (FlexX model). Residues Phe351 and Thr353, which are from the other monomer of the homodimer, are shown in magenta. All of the hydrogen atoms except those attached to C-3 and C-4 of (R)-2 and (S)-2 were omitted for clarity. The fluorine atom is presented in a ball and stick model. The putative H-bonds between Arg 492 and the carboxylic group of (R)-2 or (S)-2 are shown in blue. The putative dipole-dipole interaction (C ^δ+-F^δ−…C^δ+-O⁻) between the side chain of Glu270 and the C-F group of (S)-2 is shown in red.

Docking models of (R)-2 (A) and (S)-2 (B) with pig liver GABA-AT (FlexX model). Residues Phe351 and Thr353, which are from the other monomer of the homodimer, are shown in magenta. All of the hydrogen atoms except those attached to C-3 and C-4 of (R)-2 and (S)-2 were omitted for clarity. The fluorine atom is presented in a ball and stick model. The putative H-bonds between Arg 492 and the carboxylic group of (R)-2 or (S)-2 are shown in blue. The putative dipole-dipole interaction (C ^δ+-F^δ−…C^δ+-O⁻) between the side chain of Glu270 and the C-F group of (S)-2 is shown in red.