Document Detail

Computer graphic study on models of the molybdenum cofactor of xanthine oxidase.
MedLine Citation:
PMID:  3505588     Owner:  NLM     Status:  MEDLINE    
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.
G Folkers; M Krug; S Trumpp
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Publication Detail:
Type:  Journal Article; Research Support, Non-U.S. Gov't    
Journal Detail:
Title:  Journal of computer-aided molecular design     Volume:  1     ISSN:  0920-654X     ISO Abbreviation:  J. Comput. Aided Mol. Des.     Publication Date:  1987 Apr 
Date Detail:
Created Date:  1989-03-06     Completed Date:  1989-03-06     Revised Date:  2007-11-15    
Medline Journal Info:
Nlm Unique ID:  8710425     Medline TA:  J Comput Aided Mol Des     Country:  NETHERLANDS    
Other Details:
Languages:  eng     Pagination:  87-94     Citation Subset:  IM    
Pharmaceutical Institute, University of Tübingen, F.R.G.
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MeSH Terms
Binding Sites
Computer Graphics
Models, Molecular*
Xanthine Oxidase*
Reg. No./Substance:
0/Coenzymes; 0/Metalloproteins; 0/Pteridines; 73508-07-3/molybdenum cofactor; EC Oxidase

From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine

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