data_JZT
# 
_chem_comp.id                                    JZT 
_chem_comp.name                                  "(2R)-2-{(3S,13S,16aS,17aR,17bS)-13-[({(1S)-1-[(4,4-dimethyl-2,6-dioxopiperidin-1-yl)methyl]-2,2-dimethylpropyl}carbamoyl)amino]-17,17-dimethyl-1,14-dioxooctadecahydro-2H-cyclopropa[3,4]pyrrolo[1,2-a][1,4]diazacyclohexadecin-3-yl}-2-hydroxy-N-prop-2-en-1-ylethanamide" 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C39 H64 N6 O7" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2009-12-08 
_chem_comp.pdbx_modified_date                    2024-09-27 
_chem_comp.pdbx_ambiguous_flag                   N 
_chem_comp.pdbx_release_status                   REL 
_chem_comp.pdbx_replaced_by                      ? 
_chem_comp.pdbx_replaces                         ? 
_chem_comp.formula_weight                        728.961 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     JZT 
_chem_comp.pdbx_model_coordinates_details        ? 
_chem_comp.pdbx_model_coordinates_missing_flag   N 
_chem_comp.pdbx_ideal_coordinates_details        Corina 
_chem_comp.pdbx_ideal_coordinates_missing_flag   N 
_chem_comp.pdbx_model_coordinates_db_code        3KNX 
_chem_comp.pdbx_subcomponent_list                ? 
_chem_comp.pdbx_processing_site                  RCSB 
_chem_comp.pdbx_pcm                              Y 
# 
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.alt_atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.charge 
_chem_comp_atom.pdbx_align 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_leaving_atom_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.pdbx_backbone_atom_flag 
_chem_comp_atom.pdbx_n_terminal_atom_flag 
_chem_comp_atom.pdbx_c_terminal_atom_flag 
_chem_comp_atom.model_Cartn_x 
_chem_comp_atom.model_Cartn_y 
_chem_comp_atom.model_Cartn_z 
_chem_comp_atom.pdbx_model_Cartn_x_ideal 
_chem_comp_atom.pdbx_model_Cartn_y_ideal 
_chem_comp_atom.pdbx_model_Cartn_z_ideal 
_chem_comp_atom.pdbx_component_atom_id 
_chem_comp_atom.pdbx_component_comp_id 
_chem_comp_atom.pdbx_ordinal 
JZT C1   C1   C 0 1 N N N N N N 191.179 -10.229 48.651 2.458  -0.386 -0.002 C1   JZT 1   
JZT O2   O2   O 0 1 N N N N N N 191.581 -11.042 49.492 2.150  -1.295 0.744  O2   JZT 2   
JZT N3   N3   N 0 1 N N N N N N 189.898 -10.072 48.346 3.539  -0.505 -0.798 N3   JZT 3   
JZT O4   O4   O 0 1 N N N N N N 188.294 -9.823  45.488 5.521  1.151  -1.827 O4   JZT 4   
JZT O5   O5   O 0 1 N N N N N N 189.299 -13.684 47.676 7.097  -1.815 1.032  O5   JZT 5   
JZT N6   N6   N 0 1 N N N N N N 188.788 -11.754 46.620 6.319  -0.335 -0.406 N6   JZT 6   
JZT C7   C7   C 0 1 N N S N N N 188.836 -10.923 48.882 4.342  -1.730 -0.765 C7   JZT 7   
JZT C8   C8   C 0 1 N N N N N N 188.135 -10.435 50.176 3.722  -2.772 -1.698 C8   JZT 8   
JZT C9   C9   C 0 1 N N N N N N 187.828 -8.940  50.144 2.297  -3.084 -1.239 C9   JZT 9   
JZT C10  C10  C 0 1 N N N N N N 186.845 -11.225 50.379 3.689  -2.222 -3.126 C10  JZT 10  
JZT C11  C11  C 0 1 N N N N N N 189.034 -10.748 51.374 4.561  -4.051 -1.663 C11  JZT 11  
JZT C12  C12  C 0 1 N N N N N N 188.928 -10.902 45.577 6.137  0.933  -0.806 C12  JZT 12  
JZT C13  C13  C 0 1 N N N N N N 189.890 -11.247 44.451 6.684  2.089  -0.012 C13  JZT 13  
JZT C14  C14  C 0 1 N N N N N N 190.399 -12.659 44.416 6.747  1.698  1.469  C14  JZT 14  
JZT C15  C15  C 0 1 N N N N N N 190.342 -13.356 45.746 7.576  0.416  1.600  C15  JZT 15  
JZT C16  C16  C 0 1 N N N N N N 189.456 -12.925 46.696 6.981  -0.650 0.718  C16  JZT 16  
JZT C17  C17  C 0 1 N N N N N N 187.881 -11.348 47.750 5.768  -1.417 -1.225 C17  JZT 17  
JZT C18  C18  C 0 1 N N N N N N 191.897 -12.533 44.093 5.331  1.451  1.995  C18  JZT 18  
JZT C19  C19  C 0 1 N N N N N N 189.610 -13.460 43.386 7.408  2.822  2.270  C19  JZT 19  
JZT N20  N20  N 0 1 N N N N N N 191.970 -9.371  48.015 1.716  0.739  -0.037 N20  JZT 20  
JZT C21  C21  C 0 1 N N S N N N 193.417 -9.486  48.009 0.539  0.865  0.823  C21  JZT 21  
JZT C22  C22  C 0 1 N N N N N N 193.942 -8.660  49.177 -0.653 0.236  0.155  C22  JZT 22  
JZT O23  O23  O 0 1 N N N N N N 193.599 -7.481  49.310 -1.140 0.748  -0.831 O23  JZT 23  
JZT C24  C24  C 0 1 N N N N N N 193.979 -8.978  46.682 0.265  2.333  1.133  C24  JZT 24  
JZT C25  C25  C 0 1 N N N N N N 195.378 -8.385  46.763 0.119  3.152  -0.148 C25  JZT 25  
JZT C26  C26  C 0 1 N N N N N N 195.702 -7.548  45.527 0.147  4.644  0.205  C26  JZT 26  
JZT C27  C27  C 0 1 N N N N N N 195.991 -6.089  45.878 -0.772 5.412  -0.746 C27  JZT 27  
JZT C28  C28  C 0 1 N N N N N N 194.728 -5.355  46.285 -2.155 5.564  -0.110 C28  JZT 28  
JZT N29  N29  N 0 1 N N N N N N 194.705 -9.293  50.082 -1.176 -0.909 0.635  N29  JZT 29  
JZT C30  C30  C 0 1 N N N N N N 194.946 -10.744 50.137 -0.549 -1.760 1.652  C30  JZT 30  
JZT C31  C31  C 0 1 N N S N N N 195.267 -8.616  51.254 -2.453 -1.492 0.226  C31  JZT 31  
JZT C32  C32  C 0 1 N N R N N N 195.898 -9.665  52.122 -2.541 -2.917 0.792  C32  JZT 32  
JZT C33  C33  C 0 1 N N S N N N 195.551 -10.981 51.496 -1.312 -3.088 1.698  C33  JZT 33  
JZT C34  C34  C 0 1 N N N N N N 194.856 -10.576 52.787 -1.453 -3.928 0.429  C34  JZT 34  
JZT C35  C35  C 0 1 N N N N N N 195.279 -11.291 54.031 -1.789 -5.412 0.605  C35  JZT 35  
JZT C36  C36  C 0 1 N N N N N N 193.384 -10.302 52.676 -0.535 -3.605 -0.750 C36  JZT 36  
JZT C37  C37  C 0 1 N N N N N N 196.195 -7.473  50.884 -3.599 -0.669 0.748  C37  JZT 37  
JZT O38  O38  O 0 1 N N N N N N 197.203 -7.666  50.202 -4.595 -1.217 1.176  O38  JZT 38  
JZT N39  N39  N 0 1 N N N N N N 195.888 -6.284  51.382 -3.497 0.689  0.749  N39  JZT 39  
JZT C40  C40  C 0 1 N N S N N N 196.711 -5.124  51.073 -4.760 1.440  0.552  C40  JZT 40  
JZT C41  C41  C 0 1 N N N N N N 195.859 -4.047  50.386 -4.446 2.931  0.586  C41  JZT 41  
JZT C42  C42  C 0 1 N N N N N N 195.221 -4.509  49.093 -4.939 3.662  -0.658 C42  JZT 42  
JZT C43  C43  C 0 1 N N N N N N 195.895 -3.845  47.915 -4.586 5.152  -0.531 C43  JZT 43  
JZT C44  C44  C 0 1 N N N N N N 195.022 -3.917  46.678 -3.228 5.404  -1.188 C44  JZT 44  
JZT O45  O45  O 0 1 N N N N N N 197.963 -5.661  53.109 -4.496 1.320  -1.844 O45  JZT 45  
JZT C46  C46  C 0 1 N N R N N N 197.471 -4.565  52.312 -5.396 1.027  -0.773 C46  JZT 46  
JZT O47  O47  O 0 1 N N N N N N 198.441 -2.723  51.306 -5.106 -1.195 -1.513 O47  JZT 47  
JZT N48  N48  N 0 1 N N N N N N 199.799 -4.488  51.372 -6.594 -0.947 0.114  N48  JZT 48  
JZT C49  C49  C 0 1 N N N N N N 200.987 -3.788  50.876 -6.877 -2.384 0.135  C49  JZT 49  
JZT C50  C50  C 0 1 N N N N N N 201.261 -4.086  49.386 -7.919 -2.675 1.184  C50  JZT 50  
JZT C51  C51  C 0 1 N N N N N N 200.494 -5.030  48.693 -9.017 -3.311 0.859  C51  JZT 51  
JZT C54  C54  C 0 1 N N N N N N 198.646 -3.885  51.626 -5.687 -0.451 -0.751 C54  JZT 52  
JZT H51  H51  H 0 1 N N N N N N 199.701 -5.559  49.200 -9.763 -3.520 1.611  H51  JZT 53  
JZT H51A H51A H 0 0 N N N N N N 200.696 -5.230  47.651 -9.175 -3.627 -0.162 H51A JZT 54  
JZT HN3  HN3  H 0 1 N N N N N N 189.646 -9.335  47.719 3.785  0.221  -1.394 HN3  JZT 55  
JZT H7   H7   H 0 1 N N N N N N 189.337 -11.823 49.268 4.366  -2.121 0.252  H7   JZT 56  
JZT H9   H9   H 0 1 N N N N N N 187.333 -8.647  51.082 1.699  -2.173 -1.263 H9   JZT 57  
JZT H9A  H9A  H 0 1 N N N N N N 188.766 -8.376  50.032 1.855  -3.826 -1.903 H9A  JZT 58  
JZT H9B  H9B  H 0 1 N N N N N N 187.164 -8.720  49.295 2.320  -3.475 -0.221 H9B  JZT 59  
JZT H10  H10  H 0 1 N N N N N N 186.345 -10.882 51.296 4.705  -2.000 -3.453 H10  JZT 60  
JZT H10A H10A H 0 0 N N N N N N 186.179 -11.068 49.518 3.247  -2.964 -3.791 H10A JZT 61  
JZT H10B H10B H 0 0 N N N N N N 187.081 -12.296 50.469 3.091  -1.311 -3.151 H10B JZT 62  
JZT H11  H11  H 0 1 N N N N N N 188.546 -10.406 52.299 4.585  -4.442 -0.646 H11  JZT 63  
JZT H11A H11A H 0 0 N N N N N N 189.205 -11.833 51.430 4.120  -4.793 -2.328 H11A JZT 64  
JZT H11B H11B H 0 0 N N N N N N 189.997 -10.230 51.255 5.577  -3.828 -1.991 H11B JZT 65  
JZT H13  H13  H 0 1 N N N N N N 189.360 -11.068 43.504 7.685  2.334  -0.366 H13  JZT 66  
JZT H13A H13A H 0 0 N N N N N N 190.765 -10.588 44.557 6.032  2.955  -0.133 H13A JZT 67  
JZT H15  H15  H 0 1 N N N N N N 190.080 -14.403 45.534 8.602  0.613  1.291  H15  JZT 68  
JZT H15A H15A H 0 0 N N N N N N 191.343 -13.254 46.190 7.564  0.079  2.636  H15A JZT 69  
JZT H17  H17  H 0 1 N N N N N N 187.225 -10.517 47.452 5.753  -1.110 -2.270 H17  JZT 70  
JZT H17A H17A H 0 0 N N N N N N 187.241 -12.185 48.065 6.388  -2.307 -1.116 H17A JZT 71  
JZT H18  H18  H 0 1 N N N N N N 192.349 -13.535 44.049 4.868  0.644  1.427  H18  JZT 72  
JZT H18A H18A H 0 0 N N N N N N 192.022 -12.032 43.122 5.379  1.173  3.048  H18A JZT 73  
JZT H18B H18B H 0 0 N N N N N N 192.393 -11.942 44.877 4.739  2.359  1.886  H18B JZT 74  
JZT H19  H19  H 0 1 N N N N N N 189.983 -14.494 43.361 6.825  3.737  2.161  H19  JZT 75  
JZT H19A H19A H 0 0 N N N N N N 188.545 -13.461 43.661 7.451  2.541  3.322  H19A JZT 76  
JZT H19B H19B H 0 0 N N N N N N 189.732 -13.002 42.393 8.418  2.988  1.896  H19B JZT 77  
JZT HN20 HN20 H 0 0 N N N N N N 191.549 -8.612  47.518 1.962  1.464  -0.632 HN20 JZT 78  
JZT H21  H21  H 0 1 N N N N N N 193.730 -10.535 48.117 0.735  0.340  1.765  H21  JZT 79  
JZT H24  H24  H 0 1 N N N N N N 194.017 -9.830  45.987 -0.657 2.412  1.716  H24  JZT 80  
JZT H24A H24A H 0 0 N N N N N N 193.304 -8.192  46.312 1.088  2.738  1.727  H24A JZT 81  
JZT H25  H25  H 0 1 N N N N N N 195.440 -7.742  47.653 0.934  2.935  -0.834 H25  JZT 82  
JZT H25A H25A H 0 0 N N N N N N 196.107 -9.205  46.837 -0.833 2.919  -0.627 H25A JZT 83  
JZT H26  H26  H 0 1 N N N N N N 196.591 -7.974  45.039 -0.194 4.778  1.231  H26  JZT 84  
JZT H26A H26A H 0 0 N N N N N N 194.839 -7.580  44.846 1.166  5.017  0.108  H26A JZT 85  
JZT H27  H27  H 0 1 N N N N N N 196.703 -6.060  46.716 -0.352 6.399  -0.940 H27  JZT 86  
JZT H27A H27A H 0 0 N N N N N N 196.422 -5.591  44.997 -0.862 4.867  -1.685 H27A JZT 87  
JZT H28  H28  H 0 1 N N N N N N 194.029 -5.355  45.436 -2.289 4.799  0.655  H28  JZT 88  
JZT H28A H28A H 0 0 N N N N N N 194.279 -5.873  47.145 -2.240 6.551  0.345  H28A JZT 89  
JZT H30  H30  H 0 1 N N N N N N 194.008 -11.306 50.018 0.494  -1.944 1.387  H30  JZT 90  
JZT H30A H30A H 0 0 N N N N N N 195.632 -11.062 49.338 -0.593 -1.272 2.626  H30A JZT 91  
JZT H31  H31  H 0 1 N N N N N N 194.471 -8.115  51.825 -2.505 -1.530 -0.863 H31  JZT 92  
JZT H32  H32  H 0 1 N N N N N N 196.791 -9.146  52.500 -3.521 -3.269 1.103  H32  JZT 93  
JZT H33  H33  H 0 1 N N N N N N 196.014 -11.942 51.227 -1.383 -3.586 2.664  H33  JZT 94  
JZT H35  H35  H 0 1 N N N N N N 194.446 -11.905 54.403 -2.644 -5.668 -0.021 H35  JZT 95  
JZT H35A H35A H 0 0 N N N N N N 196.140 -11.938 53.807 -0.930 -6.016 0.312  H35A JZT 96  
JZT H35B H35B H 0 0 N N N N N N 195.563 -10.555 54.798 -2.032 -5.608 1.650  H35B JZT 97  
JZT H36  H36  H 0 1 N N N N N N 192.824 -11.075 53.224 -0.002 -2.675 -0.552 H36  JZT 98  
JZT H36A H36A H 0 0 N N N N N N 193.162 -9.314  53.106 0.183  -4.415 -0.884 H36A JZT 99  
JZT H36B H36B H 0 0 N N N N N N 193.087 -10.316 51.617 -1.132 -3.496 -1.656 H36B JZT 100 
JZT HN39 HN39 H 0 0 N N N N N N 195.087 -6.183  51.973 -2.652 1.155  0.839  HN39 JZT 101 
JZT H40  H40  H 0 1 N N N N N N 197.497 -5.451  50.376 -5.445 1.197  1.371  H40  JZT 102 
JZT H41  H41  H 0 1 N N N N N N 195.055 -3.754  51.078 -4.914 3.375  1.472  H41  JZT 103 
JZT H41A H41A H 0 0 N N N N N N 196.510 -3.190  50.158 -3.363 3.066  0.674  H41A JZT 104 
JZT H42  H42  H 0 1 N N N N N N 195.329 -5.600  49.005 -4.449 3.277  -1.551 H42  JZT 105 
JZT H42A H42A H 0 0 N N N N N N 194.154 -4.241  49.099 -6.022 3.576  -0.747 H42A JZT 106 
JZT H43  H43  H 0 1 N N N N N N 196.083 -2.789  48.159 -5.350 5.744  -1.033 H43  JZT 107 
JZT H43A H43A H 0 0 N N N N N N 196.846 -4.358  47.711 -4.541 5.423  0.522  H43A JZT 108 
JZT H44  H44  H 0 1 N N N N N N 195.545 -3.422  45.846 -3.277 6.314  -1.787 H44  JZT 109 
JZT H44A H44A H 0 0 N N N N N N 194.071 -3.405  46.886 -2.972 4.563  -1.831 H44A JZT 110 
JZT HO45 HO45 H 0 0 N N N N N N 198.427 -5.320  53.865 -3.646 0.862  -1.780 HO45 JZT 111 
JZT H46  H46  H 0 1 N N N N N N 196.873 -3.923  52.975 -6.325 1.579  -0.918 H46  JZT 112 
JZT HN48 HN48 H 0 0 N N N N N N 199.861 -5.474  51.527 -7.058 -0.352 0.723  HN48 JZT 113 
JZT H49  H49  H 0 1 N N N N N N 200.830 -2.706  50.994 -7.248 -2.695 -0.841 H49  JZT 114 
JZT H49A H49A H 0 0 N N N N N N 201.857 -4.115  51.464 -5.964 -2.931 0.368  H49A JZT 115 
JZT H50  H50  H 0 1 N N N N N N 202.053 -3.561  48.873 -7.760 -2.359 2.205  H50  JZT 116 
# 
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal 
JZT N20  C1   SING N N 1   
JZT N3   C1   SING N N 2   
JZT C1   O2   DOUB N N 3   
JZT N3   C7   SING N N 4   
JZT N3   HN3  SING N N 5   
JZT O4   C12  DOUB N N 6   
JZT C16  O5   DOUB N N 7   
JZT C12  N6   SING N N 8   
JZT N6   C16  SING N N 9   
JZT N6   C17  SING N N 10  
JZT C17  C7   SING N N 11  
JZT C7   C8   SING N N 12  
JZT C7   H7   SING N N 13  
JZT C9   C8   SING N N 14  
JZT C8   C10  SING N N 15  
JZT C8   C11  SING N N 16  
JZT C9   H9   SING N N 17  
JZT C9   H9A  SING N N 18  
JZT C9   H9B  SING N N 19  
JZT C10  H10  SING N N 20  
JZT C10  H10A SING N N 21  
JZT C10  H10B SING N N 22  
JZT C11  H11  SING N N 23  
JZT C11  H11A SING N N 24  
JZT C11  H11B SING N N 25  
JZT C13  C12  SING N N 26  
JZT C14  C13  SING N N 27  
JZT C13  H13  SING N N 28  
JZT C13  H13A SING N N 29  
JZT C19  C14  SING N N 30  
JZT C18  C14  SING N N 31  
JZT C14  C15  SING N N 32  
JZT C15  C16  SING N N 33  
JZT C15  H15  SING N N 34  
JZT C15  H15A SING N N 35  
JZT C17  H17  SING N N 36  
JZT C17  H17A SING N N 37  
JZT C18  H18  SING N N 38  
JZT C18  H18A SING N N 39  
JZT C18  H18B SING N N 40  
JZT C19  H19  SING N N 41  
JZT C19  H19A SING N N 42  
JZT C19  H19B SING N N 43  
JZT C21  N20  SING N N 44  
JZT N20  HN20 SING N N 45  
JZT C24  C21  SING N N 46  
JZT C21  C22  SING N N 47  
JZT C21  H21  SING N N 48  
JZT C22  O23  DOUB N N 49  
JZT C22  N29  SING N N 50  
JZT C24  C25  SING N N 51  
JZT C24  H24  SING N N 52  
JZT C24  H24A SING N N 53  
JZT C26  C25  SING N N 54  
JZT C25  H25  SING N N 55  
JZT C25  H25A SING N N 56  
JZT C26  C27  SING N N 57  
JZT C26  H26  SING N N 58  
JZT C26  H26A SING N N 59  
JZT C27  C28  SING N N 60  
JZT C27  H27  SING N N 61  
JZT C27  H27A SING N N 62  
JZT C28  C44  SING N N 63  
JZT C28  H28  SING N N 64  
JZT C28  H28A SING N N 65  
JZT N29  C30  SING N N 66  
JZT N29  C31  SING N N 67  
JZT C30  C33  SING N N 68  
JZT C30  H30  SING N N 69  
JZT C30  H30A SING N N 70  
JZT C37  C31  SING N N 71  
JZT C31  C32  SING N N 72  
JZT C31  H31  SING N N 73  
JZT C33  C32  SING N N 74  
JZT C32  C34  SING N N 75  
JZT C32  H32  SING N N 76  
JZT C33  C34  SING N N 77  
JZT C33  H33  SING N N 78  
JZT C36  C34  SING N N 79  
JZT C34  C35  SING N N 80  
JZT C35  H35  SING N N 81  
JZT C35  H35A SING N N 82  
JZT C35  H35B SING N N 83  
JZT C36  H36  SING N N 84  
JZT C36  H36A SING N N 85  
JZT C36  H36B SING N N 86  
JZT O38  C37  DOUB N N 87  
JZT C37  N39  SING N N 88  
JZT C40  N39  SING N N 89  
JZT N39  HN39 SING N N 90  
JZT C41  C40  SING N N 91  
JZT C40  C46  SING N N 92  
JZT C40  H40  SING N N 93  
JZT C42  C41  SING N N 94  
JZT C41  H41  SING N N 95  
JZT C41  H41A SING N N 96  
JZT C43  C42  SING N N 97  
JZT C42  H42  SING N N 98  
JZT C42  H42A SING N N 99  
JZT C44  C43  SING N N 100 
JZT C43  H43  SING N N 101 
JZT C43  H43A SING N N 102 
JZT C44  H44  SING N N 103 
JZT C44  H44A SING N N 104 
JZT C46  O45  SING N N 105 
JZT O45  HO45 SING N N 106 
JZT C54  C46  SING N N 107 
JZT C46  H46  SING N N 108 
JZT O47  C54  DOUB N N 109 
JZT C49  N48  SING N N 110 
JZT N48  C54  SING N N 111 
JZT N48  HN48 SING N N 112 
JZT C50  C49  SING N N 113 
JZT C49  H49  SING N N 114 
JZT C49  H49A SING N N 115 
JZT C51  C50  DOUB N N 116 
JZT C50  H50  SING N N 117 
JZT H51A C51  SING N N 118 
JZT C51  H51  SING N N 119 
# 
loop_
_pdbx_chem_comp_descriptor.comp_id 
_pdbx_chem_comp_descriptor.type 
_pdbx_chem_comp_descriptor.program 
_pdbx_chem_comp_descriptor.program_version 
_pdbx_chem_comp_descriptor.descriptor 
JZT SMILES_CANONICAL CACTVS               3.352 "CC(C)(C)[C@@H](CN1C(=O)CC(C)(C)CC1=O)NC(=O)N[C@H]2CCCCCCCCC[C@H](NC(=O)[C@@H]3[C@@H]4[C@H](CN3C2=O)C4(C)C)[C@@H](O)C(=O)NCC=C"                                                                                                                                                             
JZT SMILES           CACTVS               3.352 "CC(C)(C)[CH](CN1C(=O)CC(C)(C)CC1=O)NC(=O)N[CH]2CCCCCCCCC[CH](NC(=O)[CH]3[CH]4[CH](CN3C2=O)C4(C)C)[CH](O)C(=O)NCC=C"                                                                                                                                                                        
JZT SMILES_CANONICAL "OpenEye OEToolkits" 1.7.0 "CC1(CC(=O)N(C(=O)C1)C[C@H](C(C)(C)C)NC(=O)N[C@H]2CCCCCCCCC[C@H](NC(=O)[C@@H]3[C@@H]4[C@@H](C4(C)C)CN3C2=O)[C@H](C(=O)NCC=C)O)C"                                                                                                                                                            
JZT SMILES           "OpenEye OEToolkits" 1.7.0 "CC1(CC(=O)N(C(=O)C1)CC(C(C)(C)C)NC(=O)NC2CCCCCCCCCC(NC(=O)C3C4C(C4(C)C)CN3C2=O)C(C(=O)NCC=C)O)C"                                                                                                                                                                                           
JZT InChI            InChI                1.03  "InChI=1S/C39H64N6O7/c1-9-19-40-34(50)32(48)25-17-15-13-11-10-12-14-16-18-26(35(51)45-22-24-30(39(24,7)8)31(45)33(49)41-25)42-36(52)43-27(37(2,3)4)23-44-28(46)20-38(5,6)21-29(44)47/h9,24-27,30-32,48H,1,10-23H2,2-8H3,(H,40,50)(H,41,49)(H2,42,43,52)/t24-,25-,26-,27+,30-,31-,32+/m0/s1" 
JZT InChIKey         InChI                1.03  OCBUWZICDFQHBN-MHXQYHMZSA-N                                                                                                                                                                                                                                                                 
# 
loop_
_pdbx_chem_comp_audit.comp_id 
_pdbx_chem_comp_audit.action_type 
_pdbx_chem_comp_audit.date 
_pdbx_chem_comp_audit.processing_site 
JZT "Create component"  2009-12-08 RCSB 
JZT "Modify descriptor" 2011-06-04 RCSB 
JZT "Modify PCM"        2024-09-27 PDBE 
# 
_pdbx_chem_comp_pcm.pcm_id                             1 
_pdbx_chem_comp_pcm.comp_id                            JZT 
_pdbx_chem_comp_pcm.modified_residue_id                SER 
_pdbx_chem_comp_pcm.type                               None 
_pdbx_chem_comp_pcm.category                           "Covalent chemical modification" 
_pdbx_chem_comp_pcm.position                           "Amino-acid side chain" 
_pdbx_chem_comp_pcm.polypeptide_position               "Any position" 
_pdbx_chem_comp_pcm.comp_id_linking_atom               C46 
_pdbx_chem_comp_pcm.modified_residue_id_linking_atom   OG 
_pdbx_chem_comp_pcm.uniprot_specific_ptm_accession     ? 
_pdbx_chem_comp_pcm.uniprot_generic_ptm_accession      ? 
# 
