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. 2012 Aug 28;7(8):e43965. doi: 10.1371/journal.pone.0043965

Figure 10. Simplified active site diagrams for eleven NSAID ternary complexes with AKR1C3.

Figure 10

Adapted from Byrns et al., 2011 [32]. Binding modes are shown for A. Flufenamic acid (FLF); B. Meclofenamic acid (JMS); C. Mefenamic acid (ID8); D. (R)-flurbiprofen (FLR); E. (R)-ibuprofen (IZP); F. (R)-naproxen (NPX); G. (S)-naproxen (NPS); H. Indomethacin pH 6.0 (IMN); I. Indomethacin pH 7.5; J. Zomepirac (ZOM); K. Sulindac (SUZ). Sub-pockets 1–3 are labelled SP1–3; the oxyanion site is labelled OX; the steroid channel is labelled SC; drug, water and solvent molecules are shown as ball and stick models, and selected hydrogen bonds as dashed lines.