Aldo-keto reductase family 1 member C2
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


           __________________________________________________ 
 1xjb(A) : SVDDSKYQCVKLNDGHFMPVLGFGTYAPAEVPKSKALEAVKLAIEAGFHH 
         :                                                    
 1j96(A) : **DDSKYQCVKLNDGHFMPVLGFGTYAPAEVPKSKALEAVKLAIEAGFHH 
           __________________________________________________ 

           __________________________________________________ 
 1xjb(A) : IDSAHVYNNEEQVGLAIRSKIADGSVKREDIFYTSKLWSNSHRPELVRPA 
         :                                                    
 1j96(A) : IDSAHVYNNEEQVGLAIRSKIADGSVKREDIFYTSKLWSNSHRPELVRPA 
           __________________________________________________ 

           ___________________120____127________138__________ 
 1xjb(A) : LERSLKNLQLDYVDLYLIHFPVSVKPGEEVIPKDENGKILFDTVDLCATW 
         :                                                    
 1j96(A) : LERSLKNLQLDYVDLYLIHFPVSVKPGEEVIPKDENGKILFDTVDLCATW 
           ___________________120____127________138__________ 

           __________________________________________________ 
 1xjb(A) : EAMEKCKDAGLAKSIGVSNFNHRLLEMILNKPGLKYKPVCNQVECHPYFN 
         :                                                    
 1j96(A) : EAMEKCKDAGLAKSIGVSNFNHRLLEMILNKPGLKYKPVCNQVECHPYFN 
           __________________________________________________ 

           __________________________________________________ 
 1xjb(A) : QRKLLDFCKSKDIVLVAYSALGSHREEPWVDPNSPVLLEDPVLCALAKKH 
         :                                                    
 1j96(A) : QRKLLDFCKSKDIVLVAYSALGSHREEPWVDPNSPVLLEDPVLCALAKKH 
           __________________________________________________ 

           __________________________________________________ 
 1xjb(A) : KRTPALIALRYQLQRGVVVLAKSYNEQRIRQNVQVFEFQLTSEEMKAIDG 
         :                                                    
 1j96(A) : KRTPALIALRYQLQRGVVVLAKSYNEQRIRQNVQVFEFQLTSEEMKAIDG 
           __________________________________________________ 

           _________310____317______                          
 1xjb(A) : LNRNVRYLTLDIFAGPPNYPFSDEY                          
         :                                                    
 1j96(A) : LNRNVRYLTLDIFAGPPNYPFSDEY                          
           _________310____317______                          

Details

  Property   Value
 Conformer 1 1xjb(A)
 Conformer 2 1j96(A)
 Radius gyration for conformer 1 19 A
 Radius gyration for conformer 2 19.11 A
 EC Number 1.1.1.213  
Click here to see the DynDom results or the famliy
 Trigger ligands TES903
 Trigger ligands in which conformation Conformation  2
 Conformaton with trigger ligands is compact No
 Spanning ligands Yes
 Residues in enzyme contacting ligands ILE129  LEU306  TRP227  TRP86  TYR24  VAL128  VAL54 
 Residues in extended bending regions contacting ligands ILE129  VAL128 
 Residues in extended bending regions making H-bonds or salt-bridges with ligands Null
  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