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