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