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docking simulation for prochiral ketone and beta-keto ester substrates
sitting drop method in a buffer containing 12-18% PEG 8000, 0.05 M potassium phosphate, pH 7.5 and 3% 2-methyl-2,4-pentanediol. The structure of the apo-form of the enzyme is solved with a resolution at 2.1 A. The enzyme soaked with NAD+ and the inhibitor (R)-1-phenylethanol forms a different crystal form containing two subunits in the asymmetric unit
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