DIPHTHERIA TOXIN (DIMERIC)
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


           __________________________________________________ 
 1f0l(B) : GADDVVDSSKSFVMENFSSYHGTKPGYVDSIQKGIQKPKSGTQGNYDDDW 
         :                                                    
 1tox(B) : GADDVVDSSKSFVMENFSSYHGTKPGYVDSIQKGIQK----------dDW 
           __________________________________________________ 

           __________________________________________________ 
 1f0l(B) : KGFYSTDNKYDAAGYSVDNENPLSGKAGGVVKVTYPGLTKVLALKVDNAE 
         :                                                    
 1tox(B) : KGFYSTDNKYDAAGYSVDNENPLSGKAGGVVKVTYPGLTKVLALKVDNAE 
           __________________________________________________ 

           __________________________________________________ 
 1f0l(B) : TIKKELGLSLTEPLMEQVGTEEFIKRFGDGASRVVLSLPFAEGSSSVEYI 
         :                                                    
 1tox(B) : TIKKELGLSLTEPLMEQVGTEEFIKRFGDGASRVVLSLPFAEGSSSVEYI 
           __________________________________________________ 

           __________________________________________________ 
 1f0l(B) : NNWEQAKALSVELEINFETRGKRGQDAMYEYMAQACA-cINLDWDVIRDK 
         :                                                    
 1tox(B) : NNWEQAKALSVELEINFETRGKRGQDAMYEYMAQACAsCINLDWDVIRDK 
           __________________________________________________ 

           __________________________________________________ 
 1f0l(B) : TKTKIESLKEHGPIKNKMSESPNKTVSEEKAKQYLEEFHQTALEHPELSE 
         :                                                    
 1tox(B) : TKTKIESLKEHGPIKNKMSESPNKTVSEEKAKQYLEEFHQTALEHPELSE 
           __________________________________________________ 

           __________________________________________________ 
 1f0l(B) : LKTVTGTNPVFAGANYAAWAVNVAQVIDSETADNLEKTTAALSILPGIGS 
         :                                                    
 1tox(B) : LKTVTGTNPVFAGANYAAWAVNVAQVIDSETADNLEKTTAALSILPGIGS 
           __________________________________________________ 

           __________________________________________________ 
 1f0l(B) : VMGIADGAVHHNTEEIVAQSIALSSLMVAQAIPLVGELVDIGFAAYNFVE 
         :                                                    
 1tox(B) : VMGIADGAVHHNTEEIVAQSIALSSLMVAQAIPLVGELVDIGFAAYNFVE 
           __________________________________________________ 

           _____________378__________________________________ 
 1f0l(B) : SIINLFQVVHNSYNRPAYSPGHKTQPFLHDGYAVSWNTVEDSIIRTGFQG 
         :                                                    
 1tox(B) : SIINLFQVVHNSYNRPAYSPGHKTQPFLHDGYAVSWNTVEDSIIRTGFQG 
           _____________378__________________________________ 

           __________________________________________________ 
 1f0l(B) : ESGHDIKITAENTPLPIAGVLLPTIPGKLDVNKSKTHISVNGRKIRMRCR 
         :                                                    
 1tox(B) : ESGHDIKITAENTPLPIAGVLLPTIPGKLDVNKSKTHISVNGRKIRMRCR 
           __________________________________________________ 

           __________________________________________________ 
 1f0l(B) : AIDGDVTFCRPKSPVYVGNGVHANLHVAFHRSSSEKIHSNEISSDSIGVL 
         :                                                    
 1tox(B) : AIDGDVTFCRPKSPVYVGNGVHANLHVAFHRSSSEKIHSNEISSDSIGVL 
           __________________________________________________ 

           _______________________                            
 1f0l(B) : GYQKTVDHTKVNSKLSLFFEIKS                            
         :                                                    
 1tox(B) : GYQKTVDHTKVNSKLSLFFEIKS                            
           _______________________                            

Details

  Property   Value
 Conformer 1 1f0l(B)
 Conformer 2 1tox(B)
 Radius gyration for conformer 1 25.06 A
 Radius gyration for conformer 2 28.74 A
 EC Number 2.4.2.36  
Click here to see the DynDom results or the famliy
 Trigger ligands APU602
 Trigger ligands in which conformation Conformation  1
 Conformaton with trigger ligands is compact Yes
 Spanning ligands Yes
 Residues in enzyme contacting ligands ARG458  ASN45  GLN36  GLY22  GLY34  GLY44  HIS21  ILE31  ILE35  LYS24  PHE53  PRO38  SER446  THR42  TRP153  TYR27  TYR54  TYR65 
 Residues in extended bending regions contacting ligands Null
 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