CREATINE KINASE
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


           __________________________________________________ 
 1crk(B) : TVHEKRKLFPPSADYPDLRKHNNCMAECLTPAIYAKLRDKLTPNGYSLDQ 
         :                                                    
 2gl6(E) : *******LFPPSADYPDLRKHNNCMAECLTPAIYAKLRNKVTPNGYTLDQ 
           __________________________________________________ 

           __________________________________________________ 
 1crk(B) : CIQTGVDNPGHPFIKTVGMVAGDEESYEVFAEIFDPVIKARHNGYDPRTM 
         :                                                    
 2gl6(E) : CIQTGVDNPGHPFIKTVGMVAGDEESYEVFADLFDPVIKLRHNGYDPRVM 
           __________________________________________________ 

           _________________120_124__________________________ 
 1crk(B) : KHHTDLDASKITHGQFDERYVLSSRVRTGRSIRGLSLPPACSRAERREVE 
         :                                                    
 2gl6(E) : KHTTDLDASKITQGQFDEHYVLSSRVRTGRSIRGLSLPPACTRAERREVE 
           _________________159_163__________________________ 

           __________________________________________________ 
 1crk(B) : NVVVTALAGLKGDLSGKYYSLTNMSERDQQQLIDDHFLFDKPVSPLLTCA 
         :                                                    
 2gl6(E) : NVAITALEGLKGDLAGRYYKLSEMTEQDQQRLIDDHFLFDKPVSPLLTCA 
           __________________________________________________ 

           __________________________________________________ 
 1crk(B) : GMARDWPDARGIWHNNDKTFLVWINEEDHTRVISMEKGGNMKRVFERFCR 
         :                                                    
 2gl6(E) : GMARDWPDARGIWHNYDKTFLIWINEEDHTRVISMEKGGNMKRVFERFCR 
           __________________________________________________ 

           _______________________________________292____299_ 
 1crk(B) : GLKEVERLIKERGWEFMWNERLGYVLTCPSNLGTGLRAGVHVKLPRLSKD 
         :                                                    
 2gl6(E) : GLKEVERLIQERGWEFMWNERLGYILTCPSNLGTGLRAGVHVRIPKLSKD 
           _______________________________________331____338_ 

           ______309_________________________337________348__ 
 1crk(B) : PRFPKILENLRLQKRGTGGVDTAAVADVYDISNLDRMGRSEVELVQIVID 
         :                                                    
 2gl6(E) : PRFSKILENLRLQKRGTGGVDTAAVADVYDISNIDRIGRSEVELVQIVID 
           ______348_________________________376________387__ 

           _____________366__371_________                     
 1crk(B) : GVNYLVDCEKKLEKGQDIKVPPPLPQFGRK                     
         :                                                    
 2gl6(E) : GVNYLVDCEKKLERGQDIKVPPPL******                     
           _____________405__410_________                     

Details

  Property   Value
 Conformer 1 1crk(B)
 Conformer 2 2gl6(E)
 Radius gyration for conformer 1 21.45 A
 Radius gyration for conformer 2 20.08 A
 EC Number 2.7.3.2  
Click here to see the DynDom results or the famliy
 Trigger ligands ADP1013
 Trigger ligands in which conformation Conformation  2
 Conformaton with trigger ligands is compact Yes
 Spanning ligands Yes
 Residues in enzyme contacting ligands ARG164  ARG166  ARG270  ARG326  ARG354  ASP369  GLY328  GLY357  GLY358  HIS225  HIS330  ILE222  MET274  SER162  THR356  TRP262  VAL329  VAL359 
 Residues in extended bending regions contacting ligands ARG164  ARG166  GLY328  HIS330  SER162  VAL329 
 Residues in extended bending regions making H-bonds or salt-bridges with ligands ARG164  ARG166  SER162 
  Residues in extended bending regions with an H-bond between its main chain and ligands SER162 
Click here to see the details of H-bonds between ligands and enzyme in PDF format generated by LIGPLOT