data_JY1
# 
_chem_comp.id                                    JY1 
_chem_comp.name                                  "bis[diethyl(methyl)-lambda~5~-phosphanyl]{bis[{[(2-{[2-(2,5-dioxopyrrolidin-1-yl)ethyl]amino}-2-oxoethyl)amino]methyl}(diethyl)-lambda~5~-phosphanyl]}rhodium" 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C36 H74 N6 O6 P4 Rh" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2018-10-16 
_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                        913.810 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     JY1 
_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        6DO0 
_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 
JY1 C11  C1  C  0 1 N N N N N N 9.391  -25.203 20.831 9.391  -25.203 20.831 C11  JY1 1   
JY1 C12  C2  C  0 1 N N N N N N 8.685  -25.899 19.637 8.685  -25.899 19.637 C12  JY1 2   
JY1 C13  C3  C  0 1 N N N N N N 10.622 -23.508 22.145 10.622 -23.508 22.145 C13  JY1 3   
JY1 C14  C4  C  0 1 N N N N N N 11.742 -24.582 22.329 11.742 -24.582 22.329 C14  JY1 4   
JY1 C15  C5  C  0 1 N N N N N N 11.160 -22.664 16.819 11.160 -22.664 16.819 C15  JY1 5   
JY1 C03  C6  C  0 1 N N N N N N 7.495  -21.841 18.923 7.495  -21.841 18.923 C03  JY1 6   
JY1 C04  C7  C  0 1 N N N N N N 7.838  -22.933 17.865 7.838  -22.933 17.865 C04  JY1 7   
JY1 C05  C8  C  0 1 N N N N N N 9.051  -18.973 20.026 9.051  -18.973 20.026 C05  JY1 8   
JY1 C06  C9  C  0 1 N N N N N N 9.914  -17.898 19.291 9.914  -17.898 19.291 C06  JY1 9   
JY1 C07  C10 C  0 1 N N N N N N 10.186 -20.726 17.613 10.186 -20.726 17.613 C07  JY1 10  
JY1 C09  C11 C  0 1 N N N N N N 11.367 -23.440 18.981 11.367 -23.440 18.981 C09  JY1 11  
JY1 C16  C12 C  0 1 N N N N N N 11.143 -24.083 16.151 11.143 -24.083 16.151 C16  JY1 12  
JY1 C19  C13 C  0 1 N N N N N N 12.096 -25.749 14.443 12.096 -25.749 14.443 C19  JY1 13  
JY1 C20  C14 C  0 1 N N N N N N 13.210 -26.644 15.050 13.210 -26.644 15.050 C20  JY1 14  
JY1 C22  C15 C  0 1 N N N N N N 15.723 -26.966 14.466 15.723 -26.966 14.466 C22  JY1 15  
JY1 C24  C16 C  0 1 N N N N N N 16.873 -26.023 14.034 16.873 -26.023 14.034 C24  JY1 16  
JY1 C25  C17 C  0 1 N N N N N N 16.185 -24.735 13.601 16.185 -24.735 13.601 C25  JY1 17  
JY1 C26  C18 C  0 1 N N N N N N 14.906 -24.717 14.334 14.906 -24.717 14.334 C26  JY1 18  
JY1 C29  C19 C  0 1 N N N N N N 11.926 -19.390 20.823 11.926 -19.390 20.823 C29  JY1 19  
JY1 C30  C20 C  0 1 N N N N N N 12.634 -20.118 19.642 12.634 -20.118 19.642 C30  JY1 20  
JY1 C31  C21 C  0 1 N N N N N N 10.905 -21.124 23.692 10.905 -21.124 23.692 C31  JY1 21  
JY1 C32  C22 C  0 1 N N N N N N 9.832  -21.583 24.729 9.832  -21.583 24.729 C32  JY1 22  
JY1 C33  C23 C  0 1 N N N N N N 10.323 -18.966 22.648 10.323 -18.966 22.648 C33  JY1 23  
JY1 C35  C24 C  0 1 N N N N N N 7.591  -20.837 23.500 7.591  -20.837 23.500 C35  JY1 24  
JY1 C37  C25 C  0 1 N N N N N N 6.639  -23.414 21.330 6.639  -23.414 21.330 C37  JY1 25  
JY1 C38  C26 C  0 1 N N N N N N 5.883  -24.136 22.483 5.883  -24.136 22.483 C38  JY1 26  
JY1 C39  C27 C  0 1 N N N N N N 6.090  -20.994 21.542 6.090  -20.994 21.542 C39  JY1 27  
JY1 C40  C28 C  0 1 N N N N N N 6.375  -19.802 20.581 6.375  -19.802 20.581 C40  JY1 28  
JY1 C41  C29 C  0 1 N N N N N N 7.973  -18.653 22.651 7.973  -18.653 22.651 C41  JY1 29  
JY1 C42  C30 C  0 1 N N N N N N 7.606  -17.194 23.086 7.606  -17.194 23.086 C42  JY1 30  
JY1 C45  C31 C  0 1 N N N N N N 8.328  -14.860 23.874 8.328  -14.860 23.874 C45  JY1 31  
JY1 C46  C32 C  0 1 N N N N N N 8.707  -14.626 25.365 8.707  -14.626 25.365 C46  JY1 32  
JY1 C48  C33 C  0 1 N N N N N N 6.481  -14.929 26.806 6.481  -14.929 26.806 C48  JY1 33  
JY1 C50  C34 C  0 1 N N N N N N 5.555  -14.050 27.404 5.555  -14.050 27.404 C50  JY1 34  
JY1 C51  C35 C  0 1 N N N N N N 6.202  -12.553 27.300 6.202  -12.553 27.300 C51  JY1 35  
JY1 C52  C36 C  0 1 N N N N N N 7.218  -12.632 26.326 7.218  -12.632 26.326 C52  JY1 36  
JY1 N08  N1  N  0 1 N N N N N N 10.694 -22.626 17.295 10.694 -22.626 17.295 N08  JY1 37  
JY1 N18  N2  N  0 1 N N N N N N 12.111 -24.407 15.074 12.111 -24.407 15.074 N18  JY1 38  
JY1 N21  N3  N  0 1 N N N N N N 14.539 -26.157 14.642 14.539 -26.157 14.642 N21  JY1 39  
JY1 N34  N4  N  0 1 N N N N N N 8.334  -18.961 23.136 8.334  -18.961 23.136 N34  JY1 40  
JY1 N44  N5  N  0 1 N N N N N N 8.676  -16.242 23.462 8.676  -16.242 23.462 N44  JY1 41  
JY1 N47  N6  N  0 1 N N N N N N 7.546  -14.098 26.115 7.546  -14.098 26.115 N47  JY1 42  
JY1 O17  O1  O  0 1 N N N N N N 10.355 -24.900 16.508 10.355 -24.900 16.508 O17  JY1 43  
JY1 O23  O2  O  0 1 N N N N N N 15.800 -28.141 14.623 15.800 -28.141 14.623 O23  JY1 44  
JY1 O27  O3  O  0 1 N N N N N N 14.278 -23.754 14.629 14.278 -23.754 14.629 O27  JY1 45  
JY1 O43  O4  O  0 1 N N N N N N 6.469  -16.850 23.114 6.469  -16.850 23.114 O43  JY1 46  
JY1 O49  O5  O  0 1 N N N N N N 6.435  -16.115 26.837 6.435  -16.115 26.837 O49  JY1 47  
JY1 O53  O6  O  0 1 N N N N N N 7.726  -11.714 25.769 7.726  -11.714 25.769 O53  JY1 48  
JY1 P02  P1  P  0 1 N N N N N N 8.796  -20.488 18.968 8.796  -20.488 18.968 P02  JY1 49  
JY1 P10  P2  P  0 1 N N N N N N 9.991  -23.460 20.369 9.991  -23.460 20.369 P10  JY1 50  
JY1 P28  P3  P  0 1 N N N N N N 10.870 -20.595 21.860 10.870 -20.595 21.860 P28  JY1 51  
JY1 P36  P4  P  0 1 N N N N N N 7.683  -21.958 21.978 7.683  -21.958 21.978 P36  JY1 52  
JY1 RH01 RH1 RH 0 0 N N N N N N 9.318  -21.486 20.766 9.318  -21.486 20.766 RH01 JY1 53  
JY1 H1   H1  H  0 1 N N N N N N 8.683  -25.126 21.669 8.683  -25.126 21.669 H1   JY1 54  
JY1 H2   H2  H  0 1 N N N N N N 10.257 -25.809 21.137 10.257 -25.809 21.137 H2   JY1 55  
JY1 H3   H3  H  0 1 N N N N N N 8.353  -26.902 19.941 8.352  -26.902 19.941 H3   JY1 56  
JY1 H4   H4  H  0 1 N N N N N N 7.814  -25.302 19.328 7.814  -25.302 19.328 H4   JY1 57  
JY1 H5   H5  H  0 1 N N N N N N 9.388  -25.985 18.795 9.388  -25.985 18.795 H5   JY1 58  
JY1 H6   H6  H  0 1 N N N N N N 9.784  -23.748 22.815 9.784  -23.748 22.815 H6   JY1 59  
JY1 H7   H7  H  0 1 N N N N N N 11.029 -22.520 22.406 11.029 -22.520 22.406 H7   JY1 60  
JY1 H8   H8  H  0 1 N N N N N N 12.084 -24.580 23.374 12.084 -24.580 23.375 H8   JY1 61  
JY1 H9   H9  H  0 1 N N N N N N 11.343 -25.575 22.075 11.343 -25.575 22.076 H9   JY1 62  
JY1 H10  H10 H  0 1 N N N N N N 12.588 -24.347 21.666 12.588 -24.347 21.666 H10  JY1 63  
JY1 H11  H11 H  0 1 N N N N N N 12.149 -22.485 17.265 12.149 -22.485 17.265 H11  JY1 64  
JY1 H12  H12 H  0 1 N N N N N N 10.959 -21.900 16.053 10.959 -21.900 16.053 H12  JY1 65  
JY1 H13  H13 H  0 1 N N N N N N 6.523  -21.393 18.671 6.523  -21.393 18.671 H13  JY1 66  
JY1 H14  H14 H  0 1 N N N N N N 7.435  -22.312 19.915 7.435  -22.312 19.915 H14  JY1 67  
JY1 H15  H15 H  0 1 N N N N N N 7.055  -23.706 17.868 7.055  -23.706 17.868 H15  JY1 68  
JY1 H16  H16 H  0 1 N N N N N N 7.894  -22.472 16.868 7.894  -22.472 16.868 H16  JY1 69  
JY1 H17  H17 H  0 1 N N N N N N 8.807  -23.391 18.112 8.807  -23.391 18.112 H17  JY1 70  
JY1 H18  H18 H  0 1 N N N N N N 9.562  -19.268 20.954 9.562  -19.268 20.954 H18  JY1 71  
JY1 H19  H19 H  0 1 N N N N N N 8.070  -18.538 20.270 8.070  -18.538 20.270 H19  JY1 72  
JY1 H20  H20 H  0 1 N N N N N N 10.043 -17.022 19.943 10.043 -17.022 19.943 H20  JY1 73  
JY1 H21  H21 H  0 1 N N N N N N 10.899 -18.322 19.048 10.899 -18.322 19.048 H21  JY1 74  
JY1 H22  H22 H  0 1 N N N N N N 9.408  -17.593 18.363 9.408  -17.593 18.363 H22  JY1 75  
JY1 H23  H23 H  0 1 N N N N N N 10.916 -19.907 17.688 10.916 -19.907 17.688 H23  JY1 76  
JY1 H24  H24 H  0 1 N N N N N N 10.696 -21.687 17.776 10.696 -21.687 17.775 H24  JY1 77  
JY1 H25  H25 H  0 1 N N N N N N 9.728  -20.718 16.613 9.728  -20.718 16.613 H25  JY1 78  
JY1 H26  H26 H  0 1 N N N N N N 12.228 -22.857 19.340 12.228 -22.857 19.340 H26  JY1 79  
JY1 H27  H27 H  0 1 N N N N N N 11.683 -24.474 18.777 11.683 -24.474 18.777 H27  JY1 80  
JY1 H28  H28 H  0 1 N N N N N N 12.265 -25.643 13.361 12.265 -25.643 13.361 H28  JY1 81  
JY1 H29  H29 H  0 1 N N N N N N 11.117 -26.220 14.617 11.117 -26.220 14.617 H29  JY1 82  
JY1 H30  H30 H  0 1 N N N N N N 13.136 -26.620 16.147 13.136 -26.620 16.147 H30  JY1 83  
JY1 H31  H31 H  0 1 N N N N N N 13.078 -27.677 14.696 13.078 -27.677 14.696 H31  JY1 84  
JY1 H32  H32 H  0 1 N N N N N N 17.554 -25.833 14.876 17.554 -25.833 14.876 H32  JY1 85  
JY1 H33  H33 H  0 1 N N N N N N 17.438 -26.460 13.197 17.438 -26.460 13.197 H33  JY1 86  
JY1 H34  H34 H  0 1 N N N N N N 16.797 -23.861 13.870 16.797 -23.861 13.870 H34  JY1 87  
JY1 H35  H35 H  0 1 N N N N N N 16.008 -24.738 12.515 16.008 -24.738 12.515 H35  JY1 88  
JY1 H36  H36 H  0 1 N N N N N N 12.690 -18.936 21.472 12.690 -18.936 21.472 H36  JY1 89  
JY1 H37  H37 H  0 1 N N N N N N 11.274 -18.602 20.417 11.274 -18.602 20.417 H37  JY1 90  
JY1 H38  H38 H  0 1 N N N N N N 13.231 -19.393 19.069 13.231 -19.393 19.069 H38  JY1 91  
JY1 H39  H39 H  0 1 N N N N N N 13.293 -20.904 20.038 13.293 -20.904 20.038 H39  JY1 92  
JY1 H40  H40 H  0 1 N N N N N N 11.878 -20.571 18.984 11.877 -20.571 18.984 H40  JY1 93  
JY1 H41  H41 H  0 1 N N N N N N 11.366 -20.256 24.187 11.366 -20.256 24.187 H41  JY1 94  
JY1 H42  H42 H  0 1 N N N N N N 11.615 -21.964 23.689 11.615 -21.964 23.689 H42  JY1 95  
JY1 H43  H43 H  0 1 N N N N N N 10.319 -21.793 25.693 10.319 -21.793 25.693 H43  JY1 96  
JY1 H44  H44 H  0 1 N N N N N N 9.086  -20.786 24.861 9.086  -20.786 24.861 H44  JY1 97  
JY1 H45  H45 H  0 1 N N N N N N 9.335  -22.494 24.363 9.335  -22.494 24.364 H45  JY1 98  
JY1 H46  H46 H  0 1 N N N N N N 10.911 -18.801 23.563 10.911 -18.802 23.563 H46  JY1 99  
JY1 H47  H47 H  0 1 N N N N N N 10.514 -18.148 21.937 10.514 -18.149 21.937 H47  JY1 100 
JY1 H48  H48 H  0 1 N N N N N N 8.418  -20.112 23.472 8.418  -20.112 23.472 H48  JY1 101 
JY1 H49  H49 H  0 1 N N N N N N 6.631  -20.299 23.502 6.631  -20.299 23.502 H49  JY1 102 
JY1 H50  H50 H  0 1 N N N N N N 7.670  -21.449 24.411 7.670  -21.448 24.411 H50  JY1 103 
JY1 H51  H51 H  0 1 N N N N N N 7.303  -24.136 20.832 7.303  -24.136 20.832 H51  JY1 104 
JY1 H52  H52 H  0 1 N N N N N N 5.904  -23.032 20.606 5.904  -23.032 20.606 H52  JY1 105 
JY1 H53  H53 H  0 1 N N N N N N 5.293  -24.968 22.071 5.293  -24.968 22.071 H53  JY1 106 
JY1 H54  H54 H  0 1 N N N N N N 6.610  -24.527 23.210 6.610  -24.527 23.210 H54  JY1 107 
JY1 H55  H55 H  0 1 N N N N N N 5.211  -23.423 22.984 5.211  -23.423 22.984 H55  JY1 108 
JY1 H56  H56 H  0 1 N N N N N N 5.646  -20.604 22.470 5.646  -20.604 22.470 H56  JY1 109 
JY1 H57  H57 H  0 1 N N N N N N 5.381  -21.680 21.056 5.381  -21.681 21.056 H57  JY1 110 
JY1 H58  H58 H  0 1 N N N N N N 5.434  -19.277 20.358 5.434  -19.277 20.358 H58  JY1 111 
JY1 H59  H59 H  0 1 N N N N N N 7.078  -19.105 21.060 7.078  -19.105 21.060 H59  JY1 112 
JY1 H60  H60 H  0 1 N N N N N N 6.814  -20.181 19.646 6.814  -20.181 19.646 H60  JY1 113 
JY1 H61  H61 H  0 1 N N N N N N 7.048  -19.221 22.472 7.048  -19.221 22.472 H61  JY1 114 
JY1 H62  H62 H  0 1 N N N N N N 8.566  -18.617 21.725 8.566  -18.617 21.726 H62  JY1 115 
JY1 H63  H63 H  0 1 N N N N N N 7.246  -14.705 23.747 7.246  -14.705 23.747 H63  JY1 116 
JY1 H64  H64 H  0 1 N N N N N N 8.877  -14.145 23.244 8.877  -14.145 23.244 H64  JY1 117 
JY1 H65  H65 H  0 1 N N N N N N 9.024  -15.579 25.812 9.024  -15.580 25.812 H65  JY1 118 
JY1 H66  H66 H  0 1 N N N N N N 9.534  -13.902 25.420 9.533  -13.902 25.420 H66  JY1 119 
JY1 H67  H67 H  0 1 N N N N N N 4.595  -14.087 26.868 4.595  -14.087 26.868 H67  JY1 120 
JY1 H68  H68 H  0 1 N N N N N N 5.397  -14.323 28.458 5.397  -14.323 28.458 H68  JY1 121 
JY1 H69  H69 H  0 1 N N N N N N 5.435  -11.826 26.993 5.435  -11.826 26.993 H69  JY1 122 
JY1 H70  H70 H  0 1 N N N N N N 6.625  -12.252 28.270 6.626  -12.252 28.270 H70  JY1 123 
JY1 H71  H71 H  0 1 N N N N N N 9.875  -23.116 16.996 9.875  -23.116 16.996 H71  JY1 124 
JY1 H73  H73 H  0 1 N N N N N N 12.773 -23.721 14.774 12.773 -23.721 14.774 H73  JY1 125 
JY1 H74  H74 H  0 1 N N N N N N 8.016  -19.904 23.235 8.016  -19.904 23.235 H74  JY1 126 
JY1 H76  H76 H  0 1 N N N N N N 9.633  -16.531 23.438 9.633  -16.531 23.438 H76  JY1 127 
# 
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 
JY1 C11 C12  SING N N 1   
JY1 C11 P10  SING N N 2   
JY1 C13 C14  SING N N 3   
JY1 C13 P10  SING N N 4   
JY1 C15 C16  SING N N 5   
JY1 C03 C04  SING N N 6   
JY1 C03 P02  SING N N 7   
JY1 C05 C06  SING N N 8   
JY1 C05 P02  SING N N 9   
JY1 C07 P02  SING N N 10  
JY1 C09 P10  SING N N 11  
JY1 C16 N18  SING N N 12  
JY1 C16 O17  DOUB N N 13  
JY1 C19 C20  SING N N 14  
JY1 C19 N18  SING N N 15  
JY1 C20 N21  SING N N 16  
JY1 C22 C24  SING N N 17  
JY1 C22 N21  SING N N 18  
JY1 C22 O23  DOUB N N 19  
JY1 C24 C25  SING N N 20  
JY1 C25 C26  SING N N 21  
JY1 C26 N21  SING N N 22  
JY1 C26 O27  DOUB N N 23  
JY1 C29 C30  SING N N 24  
JY1 C29 P28  SING N N 25  
JY1 C31 C32  SING N N 26  
JY1 C31 P28  SING N N 27  
JY1 C33 P28  SING N N 28  
JY1 C35 P36  SING N N 29  
JY1 C37 C38  SING N N 30  
JY1 C37 P36  SING N N 31  
JY1 C39 C40  SING N N 32  
JY1 C39 P36  SING N N 33  
JY1 C41 C42  SING N N 34  
JY1 C42 N44  SING N N 35  
JY1 C42 O43  DOUB N N 36  
JY1 C45 C46  SING N N 37  
JY1 C45 N44  SING N N 38  
JY1 C46 N47  SING N N 39  
JY1 C48 C50  SING N N 40  
JY1 C48 N47  SING N N 41  
JY1 C48 O49  DOUB N N 42  
JY1 C50 C51  SING N N 43  
JY1 C51 C52  SING N N 44  
JY1 C52 N47  SING N N 45  
JY1 C52 O53  DOUB N N 46  
JY1 P02 RH01 SING N N 47  
JY1 P10 RH01 SING N N 48  
JY1 P28 RH01 SING N N 49  
JY1 P36 RH01 SING N N 50  
JY1 C09 N08  SING N N 51  
JY1 N08 C15  SING N N 52  
JY1 C33 N34  SING N N 53  
JY1 N34 C41  SING N N 54  
JY1 C11 H1   SING N N 55  
JY1 C11 H2   SING N N 56  
JY1 C12 H3   SING N N 57  
JY1 C12 H4   SING N N 58  
JY1 C12 H5   SING N N 59  
JY1 C13 H6   SING N N 60  
JY1 C13 H7   SING N N 61  
JY1 C14 H8   SING N N 62  
JY1 C14 H9   SING N N 63  
JY1 C14 H10  SING N N 64  
JY1 C15 H11  SING N N 65  
JY1 C15 H12  SING N N 66  
JY1 C03 H13  SING N N 67  
JY1 C03 H14  SING N N 68  
JY1 C04 H15  SING N N 69  
JY1 C04 H16  SING N N 70  
JY1 C04 H17  SING N N 71  
JY1 C05 H18  SING N N 72  
JY1 C05 H19  SING N N 73  
JY1 C06 H20  SING N N 74  
JY1 C06 H21  SING N N 75  
JY1 C06 H22  SING N N 76  
JY1 C07 H23  SING N N 77  
JY1 C07 H24  SING N N 78  
JY1 C07 H25  SING N N 79  
JY1 C09 H26  SING N N 80  
JY1 C09 H27  SING N N 81  
JY1 C19 H28  SING N N 82  
JY1 C19 H29  SING N N 83  
JY1 C20 H30  SING N N 84  
JY1 C20 H31  SING N N 85  
JY1 C24 H32  SING N N 86  
JY1 C24 H33  SING N N 87  
JY1 C25 H34  SING N N 88  
JY1 C25 H35  SING N N 89  
JY1 C29 H36  SING N N 90  
JY1 C29 H37  SING N N 91  
JY1 C30 H38  SING N N 92  
JY1 C30 H39  SING N N 93  
JY1 C30 H40  SING N N 94  
JY1 C31 H41  SING N N 95  
JY1 C31 H42  SING N N 96  
JY1 C32 H43  SING N N 97  
JY1 C32 H44  SING N N 98  
JY1 C32 H45  SING N N 99  
JY1 C33 H46  SING N N 100 
JY1 C33 H47  SING N N 101 
JY1 C35 H48  SING N N 102 
JY1 C35 H49  SING N N 103 
JY1 C35 H50  SING N N 104 
JY1 C37 H51  SING N N 105 
JY1 C37 H52  SING N N 106 
JY1 C38 H53  SING N N 107 
JY1 C38 H54  SING N N 108 
JY1 C38 H55  SING N N 109 
JY1 C39 H56  SING N N 110 
JY1 C39 H57  SING N N 111 
JY1 C40 H58  SING N N 112 
JY1 C40 H59  SING N N 113 
JY1 C40 H60  SING N N 114 
JY1 C41 H61  SING N N 115 
JY1 C41 H62  SING N N 116 
JY1 C45 H63  SING N N 117 
JY1 C45 H64  SING N N 118 
JY1 C46 H65  SING N N 119 
JY1 C46 H66  SING N N 120 
JY1 C50 H67  SING N N 121 
JY1 C50 H68  SING N N 122 
JY1 C51 H69  SING N N 123 
JY1 C51 H70  SING N N 124 
JY1 N08 H71  SING N N 125 
JY1 N18 H73  SING N N 126 
JY1 N34 H74  SING N N 127 
JY1 N44 H76  SING N N 128 
# 
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 
JY1 SMILES           ACDLabs              12.01 "C(C)P(CC)(CNCC(NCCN1C(CCC1=O)=O)=O)[Rh](P(CC)(CC)C)(P(CC)(CC)CNCC(NCCN2C(CCC2=O)=O)=O)P(C)(CC)CC"                                                                  
JY1 InChI            InChI                1.03  "InChI=1S/2C13H24N3O3P.2C5H13P.Rh/c2*1-3-20(4-2)10-14-9-11(17)15-7-8-16-12(18)5-6-13(16)19;2*1-4-6(3)5-2;/h2*14H,3-10H2,1-2H3,(H,15,17);2*4-5H2,1-3H3;/q;;;;-4/p+4" 
JY1 InChIKey         InChI                1.03  WBSWUPZUVFVXQZ-UHFFFAOYSA-R                                                                                                                                         
JY1 SMILES_CANONICAL CACTVS               3.385 "[Rh].CCP(C)CC.CCP(C)CC.CCP(CC)CNCC(=O)NCCN1C(=O)CCC1=O.CCP(CC)CNCC(=O)NCCN2C(=O)CCC2=O"                                                                            
JY1 SMILES           CACTVS               3.385 "[Rh].CCP(C)CC.CCP(C)CC.CCP(CC)CNCC(=O)NCCN1C(=O)CCC1=O.CCP(CC)CNCC(=O)NCCN2C(=O)CCC2=O"                                                                            
JY1 SMILES_CANONICAL "OpenEye OEToolkits" 2.0.7 "CC[P](C)(CC)[Rh]([P](C)(CC)CC)([P](CC)(CC)CNCC(=O)NCCN1C(=O)CCC1=O)[P](CC)(CC)CNCC(=O)NCCN2C(=O)CCC2=O"                                                            
JY1 SMILES           "OpenEye OEToolkits" 2.0.7 "CC[P](C)(CC)[Rh]([P](C)(CC)CC)([P](CC)(CC)CNCC(=O)NCCN1C(=O)CCC1=O)[P](CC)(CC)CNCC(=O)NCCN2C(=O)CCC2=O"                                                            
# 
loop_
_pdbx_chem_comp_identifier.comp_id 
_pdbx_chem_comp_identifier.type 
_pdbx_chem_comp_identifier.program 
_pdbx_chem_comp_identifier.program_version 
_pdbx_chem_comp_identifier.identifier 
JY1 "SYSTEMATIC NAME" ACDLabs              12.01 "bis[diethyl(methyl)-lambda~5~-phosphanyl]{bis[{[(2-{[2-(2,5-dioxopyrrolidin-1-yl)ethyl]amino}-2-oxoethyl)amino]methyl}(diethyl)-lambda~5~-phosphanyl]}rhodium (non-preferred name)" 
JY1 "SYSTEMATIC NAME" "OpenEye OEToolkits" 2.0.7 "bis[[[2-[2-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]ethylamino]-2-oxidanylidene-ethyl]amino]methyl-diethyl-$l^{4}-phosphanyl]-bis[diethyl(methyl)-$l^{4}-phosphanyl]rhodium"          
# 
loop_
_pdbx_chem_comp_audit.comp_id 
_pdbx_chem_comp_audit.action_type 
_pdbx_chem_comp_audit.date 
_pdbx_chem_comp_audit.processing_site 
JY1 "Create component"   2018-10-16 RCSB 
JY1 "Initial release"    2019-02-06 RCSB 
JY1 "Other modification" 2020-01-18 RCSB 
JY1 "Modify PCM"         2024-09-27 PDBE 
# 
loop_
_pdbx_chem_comp_pcm.pcm_id 
_pdbx_chem_comp_pcm.comp_id 
_pdbx_chem_comp_pcm.modified_residue_id 
_pdbx_chem_comp_pcm.type 
_pdbx_chem_comp_pcm.category 
_pdbx_chem_comp_pcm.position 
_pdbx_chem_comp_pcm.polypeptide_position 
_pdbx_chem_comp_pcm.comp_id_linking_atom 
_pdbx_chem_comp_pcm.modified_residue_id_linking_atom 
_pdbx_chem_comp_pcm.uniprot_specific_ptm_accession 
_pdbx_chem_comp_pcm.uniprot_generic_ptm_accession 
1 JY1 CYS None "Covalent chemical modification" "Amino-acid side chain" "Any position" C25 SG ? ? 
2 JY1 CYS None "Covalent chemical modification" "Amino-acid side chain" "Any position" C50 SG ? ? 
# 
