PROTEIN (THYMIDYLATE SYNTHASE)
Ligand-induced domain movement details

Jmol view of liganded conformation 1

Domain Movement

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

Sequence


           __________________20___________________41_________ 
 1b02(A) : MTQFDKQYNSIIKDIINNGISDEEFDVRTKWDSDGTPAHTLSVISKQMRF 
         :                                                    
 1bkp(B) : *TQFDKQYNSIIKDIINNGISDEEFDVRTKWDSDGTPAHTLSVISKQMRF 
           __________________20___________________41_________ 

           __________________________________________________ 
 1b02(A) : DNSEVPILTTKKVAWKTAIKELLWIWQLKSNDVNDLNMMGVHIWDQWKQE 
         :                                                    
 1bkp(B) : DNSEVPILTTKKVAWKTAIKELLWIWQLKSNDVNDLNMMGVHIWDQWKQE 
           __________________________________________________ 

           __________________________________________________ 
 1b02(A) : DGTIGHAYGFQLGKKNRSLNGEKVDQVDYLLHQLKNNPSSRRHITMLWNP 
         :                                                    
 1bkp(B) : DGTIGHAYGFQLGKKNRSLNGEKVDQVDYLLHQLKNNPSSRRHITMLWNP 
           __________________________________________________ 

           _____________________________182_______192________ 
 1b02(A) : DELDAMALTPCVYETQWYVKHGKLHLEVRARSNDMALGNPFNVFQYNVLQ 
         :                                                    
 1bkp(B) : DELDAMALTPCVYETQWYVKHGKLHLEVRARSNDMALGNPFNVFQYNVLQ 
           _____________________________182_______192________ 

           ___________________222___228______________________ 
 1b02(A) : RMIAQVTGYELGEYIFNIGDCHVYTRHIDNLKIQMEREQFEAPELWINPE 
         :                                                    
 1bkp(B) : RMIAQVTGYELGEYIFNIGDCHVYTRHIDNLKIQMEREQFEAPELWINPE 
           ___________________222___228______________________ 

           ________________269__________                      
 1b02(A) : VKDFYDFTIDDFKLINYKHGDKLLFEVAV                      
         :                                                    
 1bkp(B) : VKDFYDFTIDDFKLINYKHGDKLLFEVAV                      
           ________________269__________                      

Details

  Property   Value
 Conformer 1 1b02(A)
 Conformer 2 1bkp(B)
 Radius gyration for conformer 1 18.75 A
 Radius gyration for conformer 2 19.13 A
 EC Number 2.1.1.45  
Click here to see the DynDom results or the famliy
 Trigger ligands C2F281
UFP280
 Trigger ligands in which conformation Conformation  1
 Conformaton with trigger ligands is compact Yes
 Spanning ligands Yes
 Residues in enzyme contacting ligands ALA278  ALA64  ARG181  ARG28  ASN183  ASN192  ASP184  CYS161  GLY188  HIS222  ILE93  LEU158  LEU187  LEU273  SER182  THR67  TRP94  TRP97  TYR108  TYR224  VAL162 
 Residues in extended bending regions contacting ligands ALA278  ARG181  ASN183  ASN192  ASP184  GLY188  HIS222  LEU187  LEU273  SER182  TYR224 
 Residues in extended bending regions making H-bonds or salt-bridges with ligands ALA278  ARG181  ASN183  ASN192  ASP184  GLY188  HIS222  SER182  TYR224 
  Residues in extended bending regions with an H-bond between its main chain and ligands ALA278  ASP184  GLY188 
Click here to see the details of H-bonds between ligands and enzyme in PDF format generated by LIGPLOT