Bifunctional purine biosynthesis protein PURH
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


           __________________________________________________ 
 1pkx(D) : GQLALFSVSDKTGLVEFARNLTALGLNLVASGGTAKALRDAGLAVRDVSE 
         :                                                    
 1pl0(A) : GQLALFSVSDKTGLVEFARNLTALGLNLVASGGTAKALRDAGLAVRDVSE 
           __________________________________________________ 

           ________________________________________________10 
 1pkx(D) : LTGFPEMLGGRVKTLHPAVHAGILARNIPEDNADMARLDFNLIRVVACNL 
         :                                                    
 1pl0(A) : LTGFPEMLGGRVKTLHPAVHAGILARNIPEDNADMARLDFNLIRVVACNL 
           ________________________________________________10 

           4_________________________________________________ 
 1pkx(D) : YPFVKTVASPGVTVEEAVEQIDIGGVTLLRAAAKNHARVTVVCEPEDYVV 
         :                                                    
 1pl0(A) : YPFVKTVASPGVTVEEAVEQIDIGGVTLLRAAAKNHARVTVVCEPEDYVV 
           4_________________________________________________ 

           ___________________________183____________________ 
 1pkx(D) : VSTEMQSSESKDTSLETRRQLALKAFTHTAQYDEAISDYFRKQYSKGVSQ 
         :                                                    
 1pl0(A) : VSTEMQSSESKDTSLETRRQLALKAFTHTAQYDEAISDYFRKQYSKGVSQ 
           ___________________________183____________________ 

           __________________________________________________ 
 1pkx(D) : MPLRYGMNPHQTPAQLYTLQPKLPITVLNGAPGFINLCDALNAWQLVKEL 
         :                                                    
 1pl0(A) : MPLRYGMNPHQTPAQLYTLQPKLPITVLNGAPGFINLCDALNAWQLVKEL 
           __________________________________________________ 

           __________________________________________________ 
 1pkx(D) : KEALGIPAAASFKHVSPAGAAVGIPLSEDEAKVCMVYDLYKTLTPISAAY 
         :                                                    
 1pl0(A) : KEALGIPAAASFKHVSPAGAAVGIPLSEDEAKVCMVYDLYKTLTPISAAY 
           __________________________________________________ 

           __________________________________________________ 
 1pkx(D) : ARARGADRMSSFGDFVALSDVCDVPTAKIISREVSDGIIAPGYEEEALTI 
         :                                                    
 1pl0(A) : ARARGADRMSSFGDFVALSDVCDVPTAKIISREVSDGIIAPGYEEEALTI 
           __________________________________________________ 

           __________________________________________________ 
 1pkx(D) : LSKKKNGNYCVLQMDQSYKPDENEVRTLFGLHLSQKRNNGVVDKSLFSNV 
         :                                                    
 1pl0(A) : LSKKKNGNYCVLQMDQSYKPDENEVRTLFGLHLSQKRNNGVVDKSLFSNV 
           __________________________________________________ 

           __________________________________________________ 
 1pkx(D) : VTKNKDLPESALRDLIVATIAVKYTQSNSVCYAKNGQVIGIGAGQQSRIH 
         :                                                    
 1pl0(A) : VTKNKDLPESALRDLIVATIAVKYTQSNSVCYAKNGQVIGIGAGQQSRIH 
           __________________________________________________ 

           __________________________________________________ 
 1pkx(D) : CTRLAGDKANYWWLRHHPQVLSMKFKTGVKRAEISNAIDQYVTGTIGEDE 
         :                                                    
 1pl0(A) : CTRLAGDKANYWWLRHHPQVLSMKFKTGVKRAEISNAIDQYVTGTIGEDE 
           __________________________________________________ 

           __________________________________________________ 
 1pkx(D) : DLIKWKALFEEVPELLTEAEKKEWVEKLTEVSISSDAFFPFRDNVDRAKR 
         :                                                    
 1pl0(A) : DLIKWKALFEEVPELLTEAEKKEWVEKLTEVSISSDAFFPFRDNVDRAKR 
           __________________________________________________ 

           _______________________________________            
 1pkx(D) : SGVAYIAAPSGSAADKVVIEACDELGIILAHTNLRLFHH            
         :                                                    
 1pl0(A) : SGVAYIAAPSGSAADKVVIEACDELGIILAHTNLRLFHH            
           _______________________________________            

Details

  Property   Value
 Conformer 1 1pkx(D)
 Conformer 2 1pl0(A)
 Radius gyration for conformer 1 33.42 A
 Radius gyration for conformer 2 33.26 A
 EC Number 2.1.2.3   3.5.4.10  
Click here to see the DynDom results or the famliy
 Trigger ligands XMP901
 Trigger ligands in which conformation Conformation  2
 Conformaton with trigger ligands is compact Yes
 Spanning ligands Yes
 Residues in enzyme contacting ligands ARG64  ASN102  ASP125  CYS101  GLY127  GLY128  GLY35  GLY36  GLY63  ILE126  LEU103  LEU68  LYS14  LYS66  SER10  SER12  SER34  THR37  THR67  TYR104  VAL11  VAL65 
 Residues in extended bending regions contacting ligands ASN102  ASP125  CYS101  GLY127  GLY128  ILE126  LEU103  TYR104 
 Residues in extended bending regions making H-bonds or salt-bridges with ligands ASN102  ASP125  CYS101  ILE126 
  Residues in extended bending regions with an H-bond between its main chain and ligands ASN102  ILE126 
Click here to see the details of H-bonds between ligands and enzyme in PDF format generated by LIGPLOT