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. 2007 Dec 17;104(52):20764–20769. doi: 10.1073/pnas.0705659105

Fig. 3.

Fig. 3.

Models of all-trans-retinaldehyde docked into the AKR1B10 and AKR1B1 structures. (A) Tolrestat-binding pocket in the AKR1B10–NADP+–tolrestat crystal. (B) all-trans-retinaldehyde-binding pocket of AKR1B10 predicted by our model. (C) Tolrestat-binding pocket in the AKR1B1–NADP+–tolrestat crystal (PDB entry 2FZD). (D) all-trans-retinaldehyde-binding pocket of AKR1B1 predicted by our model. The molecular surface is colored according to the local electrostatic potential as calculated with the program PYMOL (www.pymol.org). Residues around the substrate define a highly hydrophobic and well adjusted pocket, protecting the retinaldehyde molecule from the polar solvent.