title: Computer graphic study on models of the molybdenum cofactor of xanthine oxidase.
abstract: Within the scope of our molecular modeling studies on xanthine oxidase (XOD) inhibition by purine analogs we were interested to build up a three-dimensional model of the molybdenum active site. Spectroscopic data indicated that a Mo (VI)atom which is coordinated to sulfur, oxygen and/or nitrogen is clearly involved in substrate binding. In the present study, those data and X-ray crystallography data were used to reconstruct molybdenum-organic complexes from models proposed in the literature. The computer graphic-assisted modeling and evaluation of the model complexes show that the description of the molybdenum center needs further refinement.
mesh_terms: D001665:Binding Sites; D003067:Coenzymes; D003196:Computer Graphics; D008667:Metalloproteins; D008958:Models, Molecular; D000090006:Molybdenum Cofactors; D011621:Pteridines; D014969:Xanthine Oxidase
chemical_list: D003067:Coenzymes; D008667:Metalloproteins; D000090006:Molybdenum Cofactors; D011621:Pteridines; D014969:Xanthine Oxidase; C022261:molybdopterin