Isocitrate 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

__________________________________________________   1j1w(A) : *TPKIIYTLTDEAPALATYSLLPIIKAFTGSSGIAVETRDISLAGRLIAT           :                                                      1itw(D) : STPKIIYTLTDEAPALATYSLLPIIKAFTGSSGIAVETRDISLAGRLIAT             __________________________________________________             __________________________________________________   1j1w(A) : FPEYLTDTQKISDDLAELGKLATTPDANIIKLPNISASVPQLKAAIKELQ           :                                                      1itw(D) : FPEYLTDTQKISDDLAELGKLATTPDANIIKLPNISASVPQLKAAIKELQ             __________________________________________________             _______________________________135________________   1j1w(A) : QQGYKLPDYPEEPKTDTEKDVKARYDKIKGSAVNPVLREGNSDRRAPLSV           :                                                      1itw(D) : QQGYKLPDYPEEPKTDTEKDVKARYDKIKGSAVNPVLREGNSDRRAPLSV             _______________________________135________________             __________________________________________________   1j1w(A) : KNYARKHPHKMGAWSADSKSHVAHMDNGDFYGSEKAALIGAPGSVKIELI           :                                                      1itw(D) : KNYARKHPHKMGAWSADSKSHVAHMDNGDFYGSEKAALIGAPGSVKIELI             __________________________________________________             __________________________________________________   1j1w(A) : AKDGSSTVLKAKTSVQAGEIIDSSVMSKNALRNFIAAEIEDAKKQGVLLS           :                                                      1itw(D) : AKDGSSTVLKAKTSVQAGEIIDSSVMSKNALRNFIAAEIEDAKKQGVLLS             __________________________________________________             __________________________________________________   1j1w(A) : VHLKATMMKVSDPIMFGQIVSEFYKDALTKHAEVLKQIGFDVNNGIGDLY           :                                                      1itw(D) : VHLKATMMKVSDPIMFGQIVSEFYKDALTKHAEVLKQIGFDVNNGIGDLY             __________________________________________________             __________________________________________________   1j1w(A) : ARIKTLPEAKQKEIEADIQAVYAQRPQLAMVNSDKGITNLHVPSDVIVDA           :                                                      1itw(D) : ARIKTLPEAKQKEIEADIQAVYAQRPQLAMVNSDKGITNLHVPSDVIVDA             __________________________________________________             __________________________________________________   1j1w(A) : SMPAMIRDSGKMWGPDGKLHDTKAVIPDRCYAGVYQVVIEDCKQHGAFDP           :                                                      1itw(D) : SMPAMIRDSGKMWGPDGKLHDTKAVIPDRCYAGVYQVVIEDCKQHGAFDP             __________________________________________________             __________________________________________________   1j1w(A) : TTMGSVPNVGLMAQKAEEYGSHDKTFQIPADGVVRVTDESGKLLLEQSVE           :                                                      1itw(D) : TTMGSVPNVGLMAQKAEEYGSHDKTFQIPADGVVRVTDESGKLLLEQSVE             __________________________________________________             __________________________________________________   1j1w(A) : AGDIWRMCQAKDAPIQDWVKLAVNRARATNTPAVFWLDPARAHDAQVIAK           :                                                      1itw(D) : AGDIWRMCQAKDAPIQDWVKLAVNRARATNTPAVFWLDPARAHDAQVIAK             __________________________________________________             __________________________________________________   1j1w(A) : VERYLKDYDTSGLDIRILSPVEATRFSLARIREGKDTISVTGNVLRDYLT           :                                                      1itw(D) : VERYLKDYDTSGLDIRILSPVEATRFSLARIREGKDTISVTGNVLRDYLT             __________________________________________________             ____________566___________________________________   1j1w(A) : DLFPIMELGTSAKMLSIVPLMSGGGLFETGAGGSAPKHVQQFLEEGYLRW           :                                                      1itw(D) : DLFPIMELGTSAKMLSIVPLMSGGGLFETGAGGSAPKHVQQFLEEGYLRW             ____________566___________________________________             __________________________________________________   1j1w(A) : DSLGEFLALAASLEHLGNAYKNPKALVLASTLDQATGKILDNNKSPARKV           :                                                      1itw(D) : DSLGEFLALAASLEHLGNAYKNPKALVLASTLDQATGKILDNNKSPARKV             __________________________________________________             __________________________________________________   1j1w(A) : GEIDNRGSHFYLALYWAQALAAQTEDKELQAQFTGIAKALTDNETKIVGE           :                                                      1itw(D) : GEIDNRGSHFYLALYWAQALAAQTEDKELQAQFTGIAKALTDNETKIVGE             __________________________________________________             ________________________________________             1j1w(A) : LAAAQGKPVDIAGYYHPNTDLTSKAMRPSATFNAALAPL*                     :                                                      1itw(D) : LAAAQGKPVDIAGYYHPNTDLTSKAMRPSATFNAALAPLA                       ________________________________________

Details

Property   Value  Conformer 1 1j1w(A)  Conformer 2 1itw(D)  Radius gyration for conformer 1 25.98 A  Radius gyration for conformer 2 26.52 A  EC Number 1.1.1.42   Click here to see the DynDom results or the famliy  Trigger ligands NAP1000  Trigger ligands in which conformation Conformation  1  Conformaton with trigger ligands is compact Yes  Spanning ligands Yes  Residues in enzyme contacting ligands ALA351  ALA563  ALA586  ARG139  ARG600  ARG649  ASN135  ASN85  ASP346  ASP602  GLY583  GLY584  HIS589  ILE348  ILE86  LYS82  PRO587  PRO84  SER585  SER87  THR561  TRP601   Residues in extended bending regions contacting ligands ALA563  ARG139  ASN135   Residues in extended bending regions making H-bonds or salt-bridges with ligands ASN135    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