Summary
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.
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Folkers, G., Krug, M. & Trumpp, S. Computer graphic study on models of the molybdenum cofactor of xanthine oxidase. J Computer-Aided Mol Des 1, 87–94 (1987). https://doi.org/10.1007/BF01680559
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DOI: https://doi.org/10.1007/BF01680559