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    STUDIA CHEMIA - Issue no. 2 / 2008  
         
  Article:   LIGAND DOCKING AND SYSTEMATIC CONFORMATIONAL ANALYSIS IN LOOP MODIFIED PARSLEY PHENYLALANINE AMMONIA-LYASE STRUCTURE.

Authors:  AMALIA-LAURA SEFF, SAROLTA PILBÁK, LÁSZLÓ POPPE.
 
       
         
  Abstract:   The phenylalanine ammonia-lyase (PAL) catalyzes the ammonia elimination from L-phenylalanine to (E)-cinnamic acid. A PAL model having more compact active center then the experimental parsley PAL (PDB code: 1W27) was constructed on the basis on different PAL and related enzyme structures (plant, bacterial and yeast) and their stability issues. In this PAL model (partial modified crystal structure) conformational analysis of the covalently bounded substrate to the MIO and ligand docking were performed to interpret experimental data.  
         
     
         
         
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