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


           ________________________________61_______70_______ 
 1i00(B) : *SELQYLGQIQHILRCGVRKDDRTGTGTLSVFGMQARYSLRDEFPLLTTK 
         :                                                    
 1ju6(D) : HGELQYLGQIQHILRCGVEKDDRTGTGTLSVFGMQARYSLRDEFPLLTTK 
           ________________________________61_______70_______ 

           ____83____________________________________________ 
 1i00(B) : RVFWKGVLEELLWFIKGSTNAKELSSKGVKIWDANGSRDFLDSLGFSTRE 
         :                                                    
 1ju6(D) : RVFWKGVLEELLWFIKGSTNAKELSSKGVKIWDANGSRDFLDSLGFSTRE 
           ____83____________________________________________ 

           __________________________________________________ 
 1i00(B) : EGDLGPVYGFQWRHFGAEYRDMESDYSGQGVDQLQRVIDTIKTNPDDRRI 
         :                                                    
 1ju6(D) : EGDLGPVYGFQWRHFGAEYRDMESDYSGQGVDQLQRVIDTIKTNPDDRRI 
           __________________________________________________ 

           _181_______________________207____________________ 
 1i00(B) : IMCAWNPRDLPLMALPPCHALCQFYVVNSELSCQLYQRSGDMGLGVPFNI 
         :                                                    
 1ju6(D) : IMCAWNPRDLPLMALPPCHALCQFYVVNSELSCQLYQRSGDMGLGVPFNI 
           _181_______________________207____________________ 

           230________________249_________________________277 
 1i00(B) : ASYALLTYMIAHITGLKPGDFIHTLGDAHIYLNHIEPLKIQLQREPRPFP 
         :                                                    
 1ju6(D) : ASYALLTYMIAHITGLKPGDFIHTLGDAHIYLNHIEPLKIQLQREPRPFP 
           230________________249_________________________277 

           _________________297________________               
 1i00(B) : KLRILRKVEKIDDFKAEDFQIEGYNPHPT*******               
         :                                                    
 1ju6(D) : KLRILRKVEKIDDFKAEDFQIEGYNPHPTIKMEMAV               
           _________________297________________               

Details

  Property   Value
 Conformer 1 1i00(B)
 Conformer 2 1ju6(D)
 Radius gyration for conformer 1 18.57 A
 Radius gyration for conformer 2 18.66 A
 EC Number 2.1.1.45  
Click here to see the DynDom results or the famliy
 Trigger ligands LYA304
 Trigger ligands in which conformation Conformation  2
 Conformaton with trigger ligands is compact No
 Spanning ligands Yes
 Residues in enzyme contacting ligands ALA312  ASN112  ASP218  GLY222  ILE108  ILE307  LEU221  LYS77  MET311  PHE225  PHE80  TRP109  TYR258 
 Residues in extended bending regions contacting ligands PHE80 
 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