A new cubic-space section model for predicting the specificity of horse liver alcohol dehydrogenase-catalyzed oxidoreductions

A new active site model for predicting and interpreting the structural- and stereospecificity of horse liver alcohol dehydrogenase-catalyzed oxidations and reductions has been formulated from the specificity, X-ray, and kinetic data now available. The new model is based on a cubic-space system and is convenient and easy to use. The model is completely reliable and permits HLADH specificity towards all of its currently known substrates to be predicted with confidence. Its application is illustrated by analyses of representative examples of major substrate types.