adenosine kinase
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


           __________21______________________________________ 
 1lii(A) : *GPMRVFAIGNPILDLVAEVPSSFLDEFFLKRGDATLATPEQMRIYSTLD 
         :                                                    
 2abs(A) : TGPMRVFAIGNPILDLVAEVPSSFLDEFFLKRGDATLATPEQMRIYSTLD 
           __________21______________________________________ 

           _______68_________________________________________ 
 1lii(A) : QFNPTSLPGGSALNSVRVVQKLLRKPGSAGYMGAIGDDPRGQVLKELCDK 
         :                                                    
 2abs(A) : QFNPTSLPGGSALNSVRVVQKLLRKPGSAGYMGAIGDDPRGQVLKELCDK 
           _______68_________________________________________ 

           ____________124_______________142_________________ 
 1lii(A) : EGLATRFMVAPGQSTGTCAVLINEKERTLCTHLGACGSFRIPENWTTFAS 
         :                                                    
 2abs(A) : EGLATRFMVAPGQSTGVCAVLINEKERTLCTHLGACGSFRLPEDWTTFAS 
           ____________124_______________142_________________ 

           __________________________________________________ 
 1lii(A) : GALIFYATAYTLTATPKNALEVAGYAHGIPNAIFTLNLSAPFCVELYKDA 
         :                                                    
 2abs(A) : GALIFYATAYTLTATPKNALEVAGYAHGIPNAIFTLNLSAPFCVELYKDA 
           __________________________________________________ 

           __________________________________________________ 
 1lii(A) : MQSLLLHTNILFGNEEEFAHLAKVHNLVAkVALSVANKEHAVE------- 
         :                                                    
 2abs(A) : MQSLLLHTNILFGNEEEFAHLAKVHNLV--------nKEHAVEVCTGALR 
           __________________________________________________ 

           __________________________________________________ 
 1lii(A) : --------gATKLVVMTRGHNPVIAAEQTADGTVVVHEVGVPVVAAEKIV 
         :                                                    
 2abs(A) : LLTAGQNTSATKLVVMTRGHNPVIAAEQTADGTVVVHEVGVPVVAAEKIV 
           __________________________________________________ 

           ________________________________________________   
 1lii(A) : DTNGAGDAFVGGFLYGLSQGKTVKQCIMCGNACAQDVIQHVGFSLSF*   
         :                                                    
 2abs(A) : DTNGAGDAFVGGFLYALSQGKTVKQCIMCGNACAQDVIQHVGFSLSFT   
           ________________________________________________   

Details

  Property   Value
 Conformer 1 1lii(A)
 Conformer 2 2abs(A)
 Radius gyration for conformer 1 18.77 A
 Radius gyration for conformer 2 19.3 A
 EC Number 2.7.1.20  
Click here to see the DynDom results or the famliy
 Trigger ligands ACP799
ADN699
 Trigger ligands in which conformation Conformation  1
 Conformaton with trigger ligands is compact Yes
 Spanning ligands Yes
 Residues in enzyme contacting ligands ALA316  ALA345  ARG136  ARG279  ASN20  ASN223  ASN314  ASN342  ASN73  ASP24  ASP318  CYS127  GLN346  GLY280  GLY315  GLY317  GLY68  GLY69  HIS281  ILE22  ILE310  ILE349  LEU138  LEU142  LEU46  PHE320  SER70  THR140  THR278  THR313  TYR169  VAL284  VAL302  VAL305 
 Residues in extended bending regions contacting ligands ASN20  ASP24  CYS127  GLY68  GLY69  ILE22  LEU142  SER70  THR140 
 Residues in extended bending regions making H-bonds or salt-bridges with ligands ASN20  ASP24  GLY69  SER70  THR140 
  Residues in extended bending regions with an H-bond between its main chain and ligands GLY69  SER70 
Click here to see the details of H-bonds between ligands and enzyme in PDF format generated by LIGPLOT