NAD-DEPENDENT MALIC ENZYME
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


           __________________________________________________ 
 1pj3(C) : IKEKGKPLlNPRTNKGaFTLQERQlGLQGLLPPKIETQDIQALRFHRNLK 
         :                                                    
 1pjl(A) : **EKGKPLlNPRTNKGaFTLQERQlGLQGLLPPKIETQDIQALRFHRNLK 
           __________________________________________________ 

           __________________________________________________ 
 1pj3(C) : KtSPLEKYIYIgIQERNEKLFYRILQDDIESLpIVYTPTVGLACSQYGHI 
         :                                                    
 1pjl(A) : KtSPLEKYIYIgIQERNEKLFYRILQDDIESLpIVYTPTVGLACSQYGHI 
           __________________________________________________ 

           __________________________________________________ 
 1pj3(C) : FRRPKGLFISISDRGHVRSIVDNWPENHVKAVVVTDGERILGLGDLGVYG 
         :                                                    
 1pjl(A) : FRRPKGLFISISDRGHVRSIVDNWPENHVKAVVVTDGERILGLGDLGVYG 
           __________________________________________________ 

           __________________________________________________ 
 1pj3(C) : gIPVGKLCLYTACAGIRPDRCLPVCIDVGTDNIALLKDPFYgLYQKRDRT 
         :                                                    
 1pjl(A) : gIPVGKLCLYTACAGIRPDRCLPVCIDVGTDNIALLKDPFYgLYQKRDRT 
           __________________________________________________ 

           __________________________________________________ 
 1pj3(C) : QQYDDLIDEFkAITDRYGRNTLIQFEDFGNHNAFRFLRKYREKYCTFNDD 
         :                                                    
 1pjl(A) : QQYDDLIDEFkAITDRYGRNTLIQFEDFGNHNAFRFLRKYREKYCTFNDD 
           __________________________________________________ 

           ____2287_2292_____________________________________ 
 1pj3(C) : IQGTAAVALAGLLAAQKVISKPISEHKILFLGAGEAALGIANLIVsvENG 
         :                                                    
 1pjl(A) : IQGTAAVALAGLLAAQKVISKPISEHKILFLGAGEAALGIANLIVsvENG 
           _____287__292_____________________________________ 

           __________________________________________________ 
 1pj3(C) : LSEQEAQKKIWfDKYGLLVKGRKAKIDSYQEPFTHSAPESIPDTFEDAVN 
         :                                                    
 1pjl(A) : LSEQEAQKKIWfDKYGLLVKGRKAKIDSYQEPFTHSAPESIPDTFEDAVN 
           __________________________________________________ 

           __________________________________________________ 
 1pj3(C) : ILKPSTIIGVAGAGRLFTPDVIRAaSINERPVIFALSNPTAQAECTAEEA 
         :                                                    
 1pjl(A) : ILKPSTIIGVAGAGRLFTPDVIRAaSINERPVIFALSNPTAQAECTAEEA 
           __________________________________________________ 

           __________________________2463____________________ 
 1pj3(C) : YTLTEGRCLFASGSPFGPVKLTDGRVFTPGQGNNVYIFPGVALAVILCNT 
         :                                                    
 1pjl(A) : YTLTEGRCLFASGSPFGPVKLTDGRVFTPGQGNNVYIFPGVALAVILCNT 
           ___________________________463____________________ 

           _____________2500_________2513____________________ 
 1pj3(C) : RHISDSVFLEAAKALTSQLTDEELAQGRLYPPLANIQEVSINIAIKVTEY 
         :                                                    
 1pjl(A) : RHISDSVFLEAAKALTSQLTDEELAQGRLYPPLANIQEVSINIAIKVTEY 
           ______________500__________513____________________ 

           _______________________________________            
 1pj3(C) : LYANKaFRYPEPEDKAKYVKERTWRSEYDSLLPDVYEWP            
         :                                                    
 1pjl(A) : LYANKaFRYPEPEDKAKYVKERTWRSEYDSLLPDVYEWP            
           _______________________________________            

Details

  Property   Value
 Conformer 1 1pj3(C)
 Conformer 2 1pjl(A)
 Radius gyration for conformer 1 24.38 A
 Radius gyration for conformer 2 25.03 A
 EC Number 1.1.1.39   1.1.1.38  
Click here to see the DynDom results or the famliy
 Trigger ligands PYR2603
 Trigger ligands in which conformation Conformation  1
 Conformaton with trigger ligands is compact Yes
 Spanning ligands Yes
 Residues in enzyme contacting ligands ARG2165  ASN2421  ASN2466  ASN2467  ASP2256  ASP2279  GLU2255  LEU2167  LYS2183  TYR2112 
 Residues in extended bending regions contacting ligands ASN2466  ASN2467 
 Residues in extended bending regions making H-bonds or salt-bridges with ligands ASN2467 
  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