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. Author manuscript; available in PMC: 2013 Apr 16.
Published in final edited form as: Chem Res Toxicol. 2012 Mar 14;25(4):895–903. doi: 10.1021/tx200519d

Table 1.

Distances (Å) between the protons and ferric heme found in P450 2C9 after energy minimization using NMR distance constraints.

Substrate Proton Sulfur
2 3 4 5 5' 6'
Tienilic acid 5.942 5.759 5.425 6.737 5.967 5.896
Tienilic acid isomer 5.839 5.820 5.820 6.791 5.827 5.970