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. Author manuscript; available in PMC: 2018 Nov 19.
Published in final edited form as: Catalysts. 2017 Jul 14;7(7):212. doi: 10.3390/catal7070212

Figure 1.

Figure 1

Small molecule interactions with protein are illustrated based on their involvement in (I) protein solvation and (II) molecular recognition using a model protein, YqhD aldehyde reductase (PDB ID: 1OJ7 [55]). The dotted arrows show the monomer and domain interfaces in the YqhD homodimer. The monomers are in a surface representation colored by residue type, and in a cartoon representation with the domains colored in blue and green, respectively. The encircled region includes reduced nicotinamide adenine dinucleotide phosphate (NADPH) and zinc ion cofactors, and isobutyraldehyde substrate binding in the catalytic site. Substrate and water molecules within 3.5 Å of protein represent the hydration shell and substrate binding on the protein surface.