DIPHTHERIA TOXIN (DIMERIC)
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

__________________________________________________   1f0l(B) : GADDVVDSSKSFVMENFSSYHGTKPGYVDSIQKGIQKPKSGTQGNYDDDW           :                                                      1tox(B) : GADDVVDSSKSFVMENFSSYHGTKPGYVDSIQKGIQK----------dDW             __________________________________________________             __________________________________________________   1f0l(B) : KGFYSTDNKYDAAGYSVDNENPLSGKAGGVVKVTYPGLTKVLALKVDNAE           :                                                      1tox(B) : KGFYSTDNKYDAAGYSVDNENPLSGKAGGVVKVTYPGLTKVLALKVDNAE             __________________________________________________             __________________________________________________   1f0l(B) : TIKKELGLSLTEPLMEQVGTEEFIKRFGDGASRVVLSLPFAEGSSSVEYI           :                                                      1tox(B) : TIKKELGLSLTEPLMEQVGTEEFIKRFGDGASRVVLSLPFAEGSSSVEYI             __________________________________________________             __________________________________________________   1f0l(B) : NNWEQAKALSVELEINFETRGKRGQDAMYEYMAQACA-cINLDWDVIRDK           :                                                      1tox(B) : NNWEQAKALSVELEINFETRGKRGQDAMYEYMAQACAsCINLDWDVIRDK             __________________________________________________             __________________________________________________   1f0l(B) : TKTKIESLKEHGPIKNKMSESPNKTVSEEKAKQYLEEFHQTALEHPELSE           :                                                      1tox(B) : TKTKIESLKEHGPIKNKMSESPNKTVSEEKAKQYLEEFHQTALEHPELSE             __________________________________________________             __________________________________________________   1f0l(B) : LKTVTGTNPVFAGANYAAWAVNVAQVIDSETADNLEKTTAALSILPGIGS           :                                                      1tox(B) : LKTVTGTNPVFAGANYAAWAVNVAQVIDSETADNLEKTTAALSILPGIGS             __________________________________________________             __________________________________________________   1f0l(B) : VMGIADGAVHHNTEEIVAQSIALSSLMVAQAIPLVGELVDIGFAAYNFVE           :                                                      1tox(B) : VMGIADGAVHHNTEEIVAQSIALSSLMVAQAIPLVGELVDIGFAAYNFVE             __________________________________________________             _____________378__________________________________   1f0l(B) : SIINLFQVVHNSYNRPAYSPGHKTQPFLHDGYAVSWNTVEDSIIRTGFQG           :                                                      1tox(B) : SIINLFQVVHNSYNRPAYSPGHKTQPFLHDGYAVSWNTVEDSIIRTGFQG             _____________378__________________________________             __________________________________________________   1f0l(B) : ESGHDIKITAENTPLPIAGVLLPTIPGKLDVNKSKTHISVNGRKIRMRCR           :                                                      1tox(B) : ESGHDIKITAENTPLPIAGVLLPTIPGKLDVNKSKTHISVNGRKIRMRCR             __________________________________________________             __________________________________________________   1f0l(B) : AIDGDVTFCRPKSPVYVGNGVHANLHVAFHRSSSEKIHSNEISSDSIGVL           :                                                      1tox(B) : AIDGDVTFCRPKSPVYVGNGVHANLHVAFHRSSSEKIHSNEISSDSIGVL             __________________________________________________             _______________________                              1f0l(B) : GYQKTVDHTKVNSKLSLFFEIKS                                      :                                                      1tox(B) : GYQKTVDHTKVNSKLSLFFEIKS                                        _______________________

Details

Property   Value  Conformer 1 1f0l(B)  Conformer 2 1tox(B)  Radius gyration for conformer 1 25.06 A  Radius gyration for conformer 2 28.74 A  EC Number 2.4.2.36   Click here to see the DynDom results or the famliy  Trigger ligands APU602  Trigger ligands in which conformation Conformation  1  Conformaton with trigger ligands is compact Yes  Spanning ligands Yes  Residues in enzyme contacting ligands ARG458  ASN45  GLN36  GLY22  GLY34  GLY44  HIS21  ILE31  ILE35  LYS24  PHE53  PRO38  SER446  THR42  TRP153  TYR27  TYR54  TYR65   Residues in extended bending regions contacting ligands Null  Residues in extended bending regions making H-bonds or salt-bridges with ligands Null   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