acetaldehyde dehydrogenase (acylating)
Ligand-induced domain movement details

Jmol view of liganded conformation 2

Domain Movement

domain 1 is binding domain(fixed in space) domain 2 is binding domain(fixed in space)

Sequence


           __________________________________________________ 
 1nvm(F) : ***KLKVAIIGSGNIGTDLMIKVLRNAKYLEMGAMVGIDAASDGLARAQR 
         :                                                    
 1nvm(B) : MNQKLKVAIIGSGNIGTDLMIKVLRNAKYLEMGAMVGIDAASDGLARAQR 
           __________________________________________________ 

           __________________________78_____________________1 
 1nvm(F) : MGVTTTYAGVEGLIKLPEFADIDFVFDATSASAHVQNEALLRQAKPGIRL 
         :                                                    
 1nvm(B) : MGVTTTYAGVEGLIKLPEFADIDFVFDATSASAHVQNEALLRQAKPGIRL 
           __________________________78_____________________1 

           02____________117_______127_______________________ 
 1nvm(F) : IDLTPAAIGPYCVPVVNLEEHLGKLNVNMVTCGGQATIPMVAAVSRVAKV 
         :                                                    
 1nvm(B) : IDLTPAAIGPYCVPVVNLEEHLGKLNVNMVTCGGQATIPMVAAVSRVAKV 
           02____________117_______127_______________________ 

           __________________________________________________ 
 1nvm(F) : HYAEIVASISSKSAGPGTRANIDEFTETTSKAIEVIGGAAKGKAIIIMNP 
         :                                                    
 1nvm(B) : HYAEIVASISSKSAGPGTRANIDEFTETTSKAIEVIGGAAKGKAIIIMNP 
           __________________________________________________ 

           __________________________________________________ 
 1nvm(F) : AEPPLIMRDTVYVLSAAADQAAVAASVAEMVQAVQAYVPGYRLKQQVQFD 
         :                                                    
 1nvm(B) : AEPPLIMRDTVYVLSAAADQAAVAASVAEMVQAVQAYVPGYRLKQQVQFD 
           __________________________________________________ 

           __________________________279______288____________ 
 1nvm(F) : VIPESAPLNIPGLGRFSGLKTSVFLEVEGAAHYLPAYAGNLDIMTSAALA 
         :                                                    
 1nvm(B) : VIPESAPLNIPGLGRFSGLKTSVFLEVEGAAHYLPAYAGNLDIMTSAALA 
           __________________________279______288____________ 

           ____________                                       
 1nvm(F) : TAERMAQSMLNA                                       
         :                                                    
 1nvm(B) : TAERMAQSMLNA                                       
           ____________                                       

Details

  Property   Value
 Conformer 1 1nvm(F)
 Conformer 2 1nvm(B)
 Radius gyration for conformer 1 20.06 A
 Radius gyration for conformer 2 19.68 A
 EC Number 1.2.1.10  
Click here to see the DynDom results or the famliy
 Trigger ligands NAD3501
 Trigger ligands in which conformation Conformation  2
 Conformaton with trigger ligands is compact Yes
 Spanning ligands Yes
 Residues in enzyme contacting ligands ALA78  ASN14  ASN171  ASN290  CYS132  GLY11  GLY13  GLY165  GLY167  GLY37  GLY59  ILE10  ILE15  ILE38  LEU103  LEU291  MET294  PRO105  PRO166  SER12  SER163  SER80  THR104  THR168  THR79  VAL36 
 Residues in extended bending regions contacting ligands ALA78  ASN290  LEU103  LEU291  MET294  PRO105  SER80  THR104  THR79 
 Residues in extended bending regions making H-bonds or salt-bridges with ligands ASN290 
  Residues in extended bending regions with an H-bond between its main chain and ligands Null
Click here to see the details of H-bonds between ligands and enzyme in PDF format generated by LIGPLOT