NAD-dependent alcohol dehydrogenase
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


           __________________________________________________ 
 1r37(A) : MRAVRLVEIGKPLSLQEIGVPKPKGPQVLIKVEAAGVCHSDVHMRQGRFG 
         :                                                    
 1jvb(A) : *RAVRLVEIGKPLSLQEIGVPKPKGPQVLIKVEAAGVCHSDVH-rQGRFG 
           __________________________________________________ 

           __________________________________________94______ 
 1r37(A) : NLRIVEDLGVKLPVTLGHEIAGKIEEVGDEVVGYSKGDLVAVNPWQGEGN 
         :                                                    
 1jvb(A) : NLRIVEDLGVKLPVTLGHEIAGKIEEVGDEVVGYSKGDLVAVNPWQGEGN 
           __________________________________________94______ 

           __________113_____________________________________ 
 1r37(A) : CYYCRIGEEHLCDSPRWLGINFDGAYAEYVIVPHYKYMYKLRRLNAVEAA 
         :                                                    
 1jvb(A) : CYYCRIGEEHLCDSPRWLGINFDGAYAEYVIVPHYKY-yKLRRLNAVEAA 
           __________113_____________________________________ 

           ___156____________________________________________ 
 1r37(A) : PLTCSGITTYRAVRKASLDPTKTLLVVGAGGGLGTMAVQIAKAVSGATII 
         :                                                    
 1jvb(A) : PLTCSGITTYRAVRKASLDPTKTLLVVGAGGGLGT-aVQIAKAVSGATII 
           ___156____________________________________________ 

           __________________________________________________ 
 1r37(A) : GVDVREEAVEAAKRAGADYVINASMQDPLAEIRRITESKGVDAVIDLNNS 
         :                                                    
 1jvb(A) : GVDVREEAVEAAKRAGADYVINASMQDPLAEIRRITESKGVDAVIDLNNS 
           __________________________________________________ 

           ______________267___273____________________296___3 
 1r37(A) : EKTLSVYPKALAKQGKYVMVGLFGADLHYHAPLITLSEIQFVGSLVGNQS 
         :                                                    
 1jvb(A) : EKTLSVYPKALAKQGKYV-vGLFGADLHYHAPLITLSEIQFVGSLVGNQS 
           ______________267___273____________________296___3 

           02_________314_________________________________    
 1r37(A) : DFLGIMRLAEAGKVKPMITKTMKLEEANEAIDNLENFKAIGRQVLIP    
         :                                                    
 1jvb(A) : DFLGI-rLAEAGKVKP-iTKT-kLEEANEAIDNLENFKAIGRQVLIP    
           02_________314_________________________________    

Details

  Property   Value
 Conformer 1 1r37(A)
 Conformer 2 1jvb(A)
 Radius gyration for conformer 1 20.13 A
 Radius gyration for conformer 2 20.67 A
 EC Number 1.1.1.1  
Click here to see the DynDom results or the famliy
 Trigger ligands NAD403
 Trigger ligands in which conformation Conformation  1
 Conformaton with trigger ligands is compact Yes
 Spanning ligands Yes
 Residues in enzyme contacting ligands ARG205  ARG342  ASN248  ASP203  CYS154  CYS38  GLY178  GLY180  GLY181  GLY182  GLY271  HIS39  HIS43  LEU183  LEU247  LEU272  LEU295  LEU334  LYS252  PHE273  PHE337  SER294  SER40  THR158  THR253  VAL204  VAL270  VAL296 
 Residues in extended bending regions contacting ligands CYS154  GLY271  LEU272  LEU295  PHE273  SER294  THR158  VAL270  VAL296 
 Residues in extended bending regions making H-bonds or salt-bridges with ligands LEU272  SER294  THR158  VAL270  VAL296 
  Residues in extended bending regions with an H-bond between its main chain and ligands LEU272  SER294  VAL270  VAL296 
Click here to see the details of H-bonds between ligands and enzyme in PDF format generated by LIGPLOT