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. Author manuscript; available in PMC: 2015 Mar 21.
Published in final edited form as: Chembiochem. 2014 Mar 21;15(5):701–712. doi: 10.1002/cbic.201300625

Figure 6.

Figure 6

Comparison of ALDH3A1 inhibitor CB29 to ALDH2 inhibitors. (A) Structure of daidzin. Blue region shows the planar isoflavone ring. (B) CB29 (sky-blue) bound with the catalytic pocket of ALDH3A1. (C) Daidzin (yellow) bound within the cylindrical pocket of ALDH2. (D) Position of CB29 within the ALDH2 substrate site based on superimposition of the ALDH3A1 and ALDH2 structure (RCSB code 1O00). This figure shows the potential steric clashes that could occur between CB29 (sky-blue) and the ALDH2 substrate site. (E) Position of CB29 within the sheep ALDH1A1 substrate site based on superimposition of the ALDH3A1 and sheep ALDH1A1 (RCSB code 1BXS) structures. This view shows the larger available space for CB29 (sky-blue) within the ALDH1 active site. Figures were generated using PyMol for Windows, version 0.99.