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. 2017 Nov 30;12(11):e0187482. doi: 10.1371/journal.pone.0187482

Fig 5. Docking of (R)-1-PheOH (white spheres).

Fig 5

A) Catalytic site of the WT enzyme (F85 and F108 green spheres, NAD+, yellow sticks) shows stabilization of the substrate aromatic ring by F108. The distance from the hydroxyl oxygen to the catalytic zinc (O-Zn) is 4.6 Å, and the distance from the substrate α-carbon to the C4 of the nicotinamide ring (αC-C4), is 5.7 Å. B) Catalytic site of the F108G variant. The distance from the hydroxyl oxygen to the catalytic zinc (O-Zn) is 2.5 Å, and the distance from the substrate α-carbon to the C4 of the nicotinamide ring (αC-C4), is 4.0 Å.