Document Detail


Computer graphic study on models of the molybdenum cofactor of xanthine oxidase.
MedLine Citation:
PMID:  3505588     Owner:  NLM     Status:  MEDLINE    
Abstract/OtherAbstract:
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.
Authors:
G Folkers; M Krug; S Trumpp
Related Documents :
25256698 - The effect of differences in methodology among some recent applications of shearing quo...
20666408 - Generative models for chemical structures.
15530418 - Molecular modeling and small angle x-ray scattering studies of hoplosternum littorale c...
17157408 - Dates from the molecular clock: how wrong can we be?
24827268 - Simple geometric model to describe self-folding of polymer sheets.
21727478 - Predictive control of crystal size distribution in protein crystallization.
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    
Affiliation:
Pharmaceutical Institute, University of Tübingen, F.R.G.
Export Citation:
APA/MLA Format     Download EndNote     Download BibTex
MeSH Terms
Descriptor/Qualifier:
Binding Sites
Coenzymes*
Computer Graphics
Metalloproteins*
Models, Molecular*
Pteridines*
Xanthine Oxidase*
Chemical
Reg. No./Substance:
0/Coenzymes; 0/Metalloproteins; 0/Pteridines; 73508-07-3/molybdenum cofactor; EC 1.17.3.2/Xanthine Oxidase

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


Previous Document:  WIZARD: AI in conformational analysis.
Next Document:  High-resolution electron microscopy and its applications.