Three dimensional crystal structure of human sorbitol dehydrogenase and uses thereof

摘要

The present invention solves the three dimensional structure of human sorbitol dehydrogenase (hSDH) complexed with a ligand by X-ray crystallography. Atomic coordinates of hSDH derived from the analysis of high resolution X-ray diffraction patterns of crystals of SDH of the enzyme are provided, as well as methods for rational drug design, based on the structural data for hSDH and the binding mode of the ligand provided on computer readable media, as analyzed on a computer system having suitable computer algorithms. The binding mode of the required cofactor NADH and the nature of its interactions with the ligand are also provided.