THYMIDYLATE SYNTHASE
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


           __________________________________________________ 
 1ev8(A) : KQYLELMQKVLDEGTQKNDRTGTGTLSIFGHQMRFNLQDGFPLVTTKR-h 
         :                                                    
 2g8o(A) : KQYLELMQKVLDEGTQKNDRTGTGTLSIFGHQMRFNLQDGFPLVTTKRCH 
           __________________________________________________ 

           ___56_____________________________________________ 
 1ev8(A) : LRSIIHELLWFLQGDTNIAYLHENNVTIWDEWADENGDLGPVYGKQWRAW 
         :                                                    
 2g8o(A) : LRSIIHELLWFLQGDTNIAYLHENNVTIWDEWADENGDLGPVYGKQWRAW 
           ___56_____________________________________________ 

           ________________120__125_____________________149__ 
 1ev8(A) : PTPDGRHIDQITTVLNQLKNDPDSRRIIVSAWNVGELDKMALAP-hAFFQ 
         :                                                    
 2g8o(A) : PTPDGRHIDQITTVLNQLKNDPDSRRIIVSAWNVGELDKMALAPCHAFFQ 
           ________________120__125_____________________149__ 

           ________162_______________________________________ 
 1ev8(A) : FYVADGKLSCQLYQR-CdVFLGLPFNIASYALLVHMMAQQ-dLEVGDFVW 
         :                                                    
 2g8o(A) : FYVADGKLSCQLYQRSCDVFLGLPFNIASYALLVHMMAQQCDLEVGDFVW 
           ________162_______________________________________ 

           ____________________________232___________246_____ 
 1ev8(A) : TGGDTHLYSNHMDQTHLQLSREPRPLPKLIIKRKPESIFDYRFEDFEIEG 
         :                                                    
 2g8o(A) : TGGDTHLYSNHMDQTHLQLSREPRPLPKLIIKRKPESIFDYRFEDFEIEG 
           ____________________________232___________246_____ 

           _____________                                      
 1ev8(A) : YDPHPGIKAPVAI                                      
         :                                                    
 2g8o(A) : YDPHPGIKAPVAI                                      
           _____________                                      

Details

  Property   Value
 Conformer 1 1ev8(A)
 Conformer 2 2g8o(A)
 Radius gyration for conformer 1 18.78 A
 Radius gyration for conformer 2 18.09 A
 EC Number 2.1.1.45  
Click here to see the DynDom results or the famliy
 Trigger ligands UMP901
 Trigger ligands in which conformation Conformation  2
 Conformaton with trigger ligands is compact Yes
 Spanning ligands Yes
 Residues in enzyme contacting ligands ARG166  ARG21  ASN177  ASP169  CYS146  CYS168  GLN165  GLY173  HIS147  HIS207  SER167  TYR209  TYR94 
 Residues in extended bending regions contacting ligands ARG166  CYS146  GLN165  HIS147  SER167 
 Residues in extended bending regions making H-bonds or salt-bridges with ligands ARG166  GLN165  SER167 
  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