data_OP5
#

_chem_comp.id                                   OP5
_chem_comp.name                                 "(1~{R},9~{S},12~{S},13~{R},14~{S},17~{R},18~{E},21~{S},23~{S},24~{R},25~{S},27~{R})-23,25-dimethoxy-12-[(~{E})-1-[(1~{R},3~{R},4~{R})-3-methoxy-4-oxidanyl-cyclohexyl]prop-1-en-2-yl]-13,19,21,27-tetramethyl-1,14-bis(oxidanyl)-17-(2-oxidanylidenepropyl)-11,28-dioxa-4-azatricyclo[22.3.1.0^{4,9}]octacos-18-ene-2,3,10,16-tetrone"
_chem_comp.type                                 non-polymer
_chem_comp.pdbx_type                            HETAIN
_chem_comp.formula                              "C44 H69 N O13"
_chem_comp.mon_nstd_parent_comp_id              ?
_chem_comp.pdbx_synonyms                        ?
_chem_comp.pdbx_formal_charge                   0
_chem_comp.pdbx_initial_date                    2020-03-25
_chem_comp.pdbx_modified_date                   2021-03-05
_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                       820.018
_chem_comp.one_letter_code                      ?
_chem_comp.three_letter_code                    OP5
_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       6YF2
_chem_comp.pdbx_subcomponent_list               ?
_chem_comp.pdbx_processing_site                 PDBE
#   #
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.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
OP5  C1   C1   C  0  1  N  N  R   4.397   7.972  24.744  -4.265   2.033   1.209  C1   OP5    1  
OP5  C2   C2   C  0  1  N  N  S   3.210   7.159  25.335  -5.374   3.086   1.262  C2   OP5    2  
OP5  O3   O1   O  0  1  N  N  N   3.834   9.098  24.060  -3.430   2.302   0.080  O3   OP5    3  
OP5  C41  C3   C  0  1  N  N  N  -1.181   6.103  22.619   3.709  -0.819  -0.926  C41  OP5    4  
OP5  C42  C4   C  0  1  N  N  R   0.841   5.369  21.257   2.210  -2.580  -1.806  C42  OP5    5  
OP5  C43  C5   C  0  1  N  N  S   0.282   3.920  21.098   1.826  -3.581  -0.726  C43  OP5    6  
OP5  C44  C6   C  0  1  N  N  N   1.899  -1.217  24.857  -2.138  -7.458  -2.514  C44  OP5    7  
OP5  C46  C7   C  0  1  N  N  N  -2.450   5.794  22.340   4.065  -0.602   0.316  C46  OP5    8  
OP5  C47  C8   C  0  1  N  N  N  -0.565   6.123  24.011   4.733  -0.734  -2.028  C47  OP5    9  
OP5  C48  C9   C  0  1  N  N  N   1.735   5.786  20.071   1.242  -2.619  -2.987  C48  OP5   10  
OP5  C50  C10  C  0  1  N  N  R  -3.494   5.370  23.326   5.467  -0.148   0.630  C50  OP5   11  
OP5  C51  C11  C  0  1  N  N  N  -4.718   6.323  23.296   5.413   1.143   1.450  C51  OP5   12  
OP5  C52  C12  C  0  1  N  N  N  -3.892   3.920  22.949   6.187  -1.232   1.434  C52  OP5   13  
OP5  C53  C13  C  0  1  N  N  R  -5.846   5.784  24.218   6.837   1.605   1.769  C53  OP5   14  
OP5  C55  C14  C  0  1  N  N  R  -6.226   4.351  23.797   7.557   0.520   2.572  C55  OP5   15  
OP5  C58  C15  C  0  1  N  N  N  -7.147   7.695  24.987   7.906   3.675   2.330  C58  OP5   16  
OP5  C11  C16  C  0  1  N  N  N   2.748   4.910  26.037  -7.561   3.261   2.226  C11  OP5   17  
OP5  C12  C17  C  0  1  N  N  N   2.752  11.109  23.972  -1.904   3.712  -1.109  C12  OP5   18  
OP5  C14  C18  C  0  1  N  N  S   5.319   5.825  21.536  -4.400  -1.813   1.371  C14  OP5   19  
OP5  C15  C19  C  0  1  N  N  N   7.504   7.343  24.556  -6.831   0.582  -0.310  C15  OP5   20  
OP5  C16  C20  C  0  1  N  N  N   1.474  10.330  26.814  -3.024   6.026   0.474  C16  OP5   21  
OP5  C17  C21  C  0  1  N  N  N   1.492  10.907  23.242  -0.824   2.728  -1.415  C17  OP5   22  
OP5  C19  C22  C  0  1  N  N  N   5.929   4.458  21.978  -3.658  -2.647   2.410  C19  OP5   23  
OP5  C20  C23  C  0  1  N  N  N   6.450   6.778  21.037  -4.329  -2.458  -0.011  C20  OP5   24  
OP5  C23  C24  C  0  1  N  N  N   4.931   3.352  21.711  -3.143  -3.947   1.848  C23  OP5   25  
OP5  C24  C25  C  0  1  N  N  S   0.131  10.187  21.367   0.938   1.974  -2.936  C24  OP5   26  
OP5  C25  C26  C  0  1  N  N  N   2.660   9.836  21.332   0.455   4.434  -2.602  C25  OP5   27  
OP5  C26  C27  C  0  1  N  N  N   4.217   2.860  22.733  -2.015  -3.968   1.191  C26  OP5   28  
OP5  C27  C28  C  0  1  N  N  N   4.810   2.902  20.265  -3.930  -5.209   2.099  C27  OP5   29  
OP5  C28  C29  C  0  1  N  N  N  -0.407   8.786  21.224   1.475   1.017  -1.904  C28  OP5   30  
OP5  C29  C30  C  0  1  N  N  N   0.278  10.893  19.997   2.111   2.606  -3.697  C29  OP5   31  
OP5  C30  C31  C  0  1  N  N  N   2.755  10.472  19.924   1.930   4.736  -2.365  C30  OP5   32  
OP5  C4   C32  C  0  1  N  N  S   5.282   7.296  23.663  -4.874   0.635   1.075  C4   OP5   33  
OP5  C5   C33  C  0  1  N  N  N   2.515   8.070  26.375  -4.739   4.472   1.370  C5   OP5   34  
OP5  O6   O2   O  0  1  N  N  N   3.723   5.959  25.923  -6.203   2.852   2.401  O6   OP5   35  
OP5  C7   C34  C  0  1  N  N  R   3.230  10.056  24.936  -2.753   3.562   0.124  C7   OP5   36  
OP5  C8   C35  C  0  1  N  N  N   4.466   6.422  22.693  -3.786  -0.412   1.315  C8   OP5   37  
OP5  O9   O3   O  0  1  N  N  N   6.322   6.545  24.310  -5.407   0.486  -0.244  O9   OP5   38  
OP5  C10  C36  C  0  1  N  N  R   2.056   9.398  25.725  -3.761   4.706   0.217  C10  OP5   39  
OP5  O13  O4   O  0  1  N  N  N   4.214  10.600  25.805  -1.900   3.594   1.275  O13  OP5   40  
OP5  O18  O5   O  0  1  N  N  N   3.399  12.128  23.769  -2.121   4.609  -1.883  O18  OP5   41  
OP5  N21  N1   N  0  1  N  N  N   1.445  10.294  22.031   0.152   3.034  -2.290  N21  OP5   42  
OP5  O22  O6   O  0  1  N  N  N   0.486  11.316  23.810  -0.840   1.645  -0.868  O22  OP5   43  
OP5  C31  C37  C  0  1  N  N  R   3.150   1.795  22.670  -1.427  -5.217   0.599  C31  OP5   44  
OP5  O32  O7   O  0  1  N  N  N   0.336   7.744  21.638   1.788  -0.236  -2.267  O32  OP5   45  
OP5  O33  O8   O  0  1  N  N  N  -1.501   8.662  20.715   1.618   1.382  -0.761  O33  OP5   46  
OP5  C34  C38  C  0  1  N  N  N   1.429  10.285  19.162   2.831   3.576  -2.760  C34  OP5   47  
OP5  C35  C39  C  0  1  N  N  N   1.838   2.547  22.613   0.029  -4.976   0.273  C35  OP5   48  
OP5  C36  C40  C  0  1  N  N  N   3.155   0.801  23.865  -2.162  -5.590  -0.692  C36  OP5   49  
OP5  C37  C41  C  0  1  N  N  S  -0.268   6.437  21.456   2.275  -1.154  -1.252  C37  OP5   50  
OP5  C38  C42  C  0  1  N  N  N   1.356   2.828  21.216   0.390  -4.073  -0.882  C38  OP5   51  
OP5  O39  O9   O  0  1  N  N  N   1.232   2.905  23.613   0.890  -5.507   0.929  O39  OP5   52  
OP5  C40  C43  C  0  1  N  N  N   2.169  -0.329  23.671  -1.659  -6.920  -1.191  C40  OP5   53  
OP5  O45  O10  O  0  1  N  N  N   1.610  -0.549  22.603  -0.873  -7.554  -0.529  O45  OP5   54  
OP5  O49  O11  O  0  1  N  N  N  -0.295   3.715  19.804   1.996  -3.011   0.572  O49  OP5   55  
OP5  C54  C44  C  0  1  N  N  N  -5.004   3.405  23.883   7.610  -0.771   1.753  C54  OP5   56  
OP5  O56  O12  O  0  1  N  N  N  -7.008   6.611  24.062   6.787   2.810   2.534  O56  OP5   57  
OP5  O57  O13  O  0  1  N  N  N  -7.244   3.873  24.679   8.886   0.950   2.870  O57  OP5   58  
OP5  H1   H1   H  0  1  N  N  N   5.041   8.308  25.570  -3.675   2.083   2.123  H1   OP5   59  
OP5  H2   H2   H  0  1  N  N  N   2.499   6.925  24.529  -5.977   3.029   0.355  H2   OP5   60  
OP5  H3   H3   H  0  1  N  N  N   1.468   5.378  22.160   3.211  -2.842  -2.181  H3   OP5   61  
OP5  H4   H4   H  0  1  N  N  N  -0.475   3.754  21.879   2.495  -4.450  -0.804  H4   OP5   62  
OP5  H5   H5   H  0  1  N  N  N   1.180  -2.000  24.573  -1.870  -6.761  -3.308  H5   OP5   63  
OP5  H6   H6   H  0  1  N  N  N   2.839  -1.684  25.187  -1.669  -8.424  -2.705  H6   OP5   64  
OP5  H7   H7   H  0  1  N  N  N   1.481  -0.616  25.678  -3.221  -7.580  -2.487  H7   OP5   65  
OP5  H8   H8   H  0  1  N  N  N  -2.752   5.856  21.305   3.353  -0.748   1.115  H8   OP5   66  
OP5  H9   H9   H  0  1  N  N  N  -1.332   5.864  24.756   5.566  -1.400  -1.804  H9   OP5   67  
OP5  H10  H10  H  0  1  N  N  N   0.255   5.391  24.060   4.275  -1.029  -2.972  H10  OP5   68  
OP5  H11  H11  H  0  1  N  N  N  -0.172   7.128  24.224   5.098   0.290  -2.106  H11  OP5   69  
OP5  H12  H12  H  0  1  N  N  N   2.102   6.811  20.230   1.591  -1.940  -3.765  H12  OP5   70  
OP5  H13  H13  H  0  1  N  N  N   2.590   5.098  19.997   1.194  -3.633  -3.383  H13  OP5   71  
OP5  H14  H14  H  0  1  N  N  N   1.151   5.747  19.140   0.251  -2.311  -2.654  H14  OP5   72  
OP5  H15  H15  H  0  1  N  N  N  -3.067   5.371  24.340   6.007   0.034  -0.299  H15  OP5   73  
OP5  H16  H16  H  0  1  N  N  N  -4.410   7.320  23.645   4.901   1.916   0.877  H16  OP5   74  
OP5  H17  H17  H  0  1  N  N  N  -5.096   6.396  22.265   4.874   0.961   2.379  H17  OP5   75  
OP5  H18  H18  H  0  1  N  N  N  -4.255   3.903  21.911   5.647  -1.414   2.364  H18  OP5   76  
OP5  H19  H19  H  0  1  N  N  N  -3.011   3.267  23.041   6.225  -2.152   0.850  H19  OP5   77  
OP5  H20  H20  H  0  1  N  N  N  -5.497   5.782  25.261   7.377   1.786   0.839  H20  OP5   78  
OP5  H21  H21  H  0  1  N  N  N  -6.591   4.368  22.760   7.017   0.338   3.502  H21  OP5   79  
OP5  H22  H22  H  0  1  N  N  N  -8.070   8.250  24.766   8.823   3.155   2.609  H22  OP5   80  
OP5  H23  H23  H  0  1  N  N  N  -7.195   7.298  26.012   7.957   3.963   1.280  H23  OP5   81  
OP5  H24  H24  H  0  1  N  N  N  -6.283   8.369  24.894   7.793   4.567   2.946  H24  OP5   82  
OP5  H25  H25  H  0  1  N  N  N   3.213   4.025  26.495  -7.594   4.331   2.019  H25  OP5   83  
OP5  H26  H26  H  0  1  N  N  N   1.913   5.252  26.666  -8.001   2.715   1.392  H26  OP5   84  
OP5  H27  H27  H  0  1  N  N  N   2.371   4.650  25.037  -8.125   3.050   3.135  H27  OP5   85  
OP5  H28  H28  H  0  1  N  N  N   4.646   5.632  20.688  -5.450  -1.725   1.668  H28  OP5   86  
OP5  H29  H29  H  0  1  N  N  N   8.268   6.725  25.051  -7.276  -0.130   0.386  H29  OP5   87  
OP5  H30  H30  H  0  1  N  N  N   7.899   7.718  23.600  -7.140   1.592  -0.043  H30  OP5   88  
OP5  H31  H31  H  0  1  N  N  N   7.244   8.193  25.204  -7.164   0.356  -1.323  H31  OP5   89  
OP5  H32  H32  H  0  1  N  N  N   0.653   9.817  27.336  -2.331   6.221  -0.344  H32  OP5   90  
OP5  H33  H33  H  0  1  N  N  N   2.263  10.588  27.536  -3.748   6.839   0.540  H33  OP5   91  
OP5  H34  H34  H  0  1  N  N  N   1.092  11.249  26.344  -2.471   5.956   1.411  H34  OP5   92  
OP5  H35  H35  H  0  1  N  N  N   6.850   4.266  21.409  -2.817  -2.072   2.807  H35  OP5   93  
OP5  H36  H36  H  0  1  N  N  N   6.162   4.490  23.053  -4.336  -2.872   3.241  H36  OP5   94  
OP5  H37  H37  H  0  1  N  N  N   6.011   7.738  20.728  -4.703  -3.480   0.045  H37  OP5   95  
OP5  H38  H38  H  0  1  N  N  N   7.170   6.949  21.850  -4.939  -1.886  -0.711  H38  OP5   96  
OP5  H39  H39  H  0  1  N  N  N   6.966   6.318  20.181  -3.295  -2.467  -0.355  H39  OP5   97  
OP5  H40  H40  H  0  1  N  N  N  -0.597  10.766  21.955   0.308   1.434  -3.642  H40  OP5   98  
OP5  H41  H41  H  0  1  N  N  N   2.628   8.741  21.232  -0.141   5.090  -1.967  H41  OP5   99  
OP5  H42  H42  H  0  1  N  N  N   3.544  10.125  21.919   0.213   4.629  -3.648  H42  OP5  100  
OP5  H43  H43  H  0  1  N  N  N   4.429   3.271  23.709  -1.471  -3.029   1.072  H43  OP5  101  
OP5  H44  H44  H  0  1  N  N  N   4.061   2.100  20.191  -4.590  -5.400   1.253  H44  OP5  102  
OP5  H45  H45  H  0  1  N  N  N   4.499   3.753  19.641  -3.243  -6.047   2.220  H45  OP5  103  
OP5  H46  H46  H  0  1  N  N  N   5.783   2.528  19.915  -4.524  -5.093   3.005  H46  OP5  104  
OP5  H47  H47  H  0  1  N  N  N   0.485  11.960  20.166   2.802   1.829  -4.021  H47  OP5  105  
OP5  H48  H48  H  0  1  N  N  N  -0.663  10.786  19.438   1.737   3.146  -4.567  H48  OP5  106  
OP5  H49  H49  H  0  1  N  N  N   3.568   9.989  19.362   2.207   5.616  -2.949  H49  OP5  107  
OP5  H50  H50  H  0  1  N  N  N   2.967  11.547  20.025   2.079   4.958  -1.308  H50  OP5  108  
OP5  H51  H51  H  0  1  N  N  N   5.744   8.100  23.071  -5.669   0.514   1.806  H51  OP5  109  
OP5  H52  H52  H  0  1  N  N  N   1.638   7.547  26.784  -5.521   5.233   1.338  H52  OP5  110  
OP5  H53  H53  H  0  1  N  N  N   3.221   8.292  27.189  -4.206   4.552   2.319  H53  OP5  111  
OP5  H54  H54  H  0  1  N  N  N   3.667   7.039  22.255  -3.290  -0.202   2.265  H54  OP5  112  
OP5  H55  H55  H  0  1  N  N  N   4.020   5.593  23.261  -3.050  -0.366   0.515  H55  OP5  113  
OP5  H56  H56  H  0  1  N  N  N   1.254   9.168  25.008  -4.318   4.783  -0.720  H56  OP5  114  
OP5  H57  H57  H  0  1  N  N  N   4.446  11.474  25.514  -1.224   2.902   1.284  H57  OP5  115  
OP5  H58  H58  H  0  1  N  N  N   3.272   1.221  21.740  -1.495  -6.042   1.309  H58  OP5  116  
OP5  H59  H59  H  0  1  N  N  N   1.488  10.795  18.189   3.144   3.042  -1.862  H59  OP5  117  
OP5  H60  H60  H  0  1  N  N  N   1.243   9.213  19.003   3.716   3.968  -3.264  H60  OP5  118  
OP5  H61  H61  H  0  1  N  N  N   4.165   0.377  23.969  -3.232  -5.657  -0.494  H61  OP5  119  
OP5  H62  H62  H  0  1  N  N  N   2.891   1.348  24.782  -1.980  -4.826  -1.448  H62  OP5  120  
OP5  H63  H63  H  0  1  N  N  N  -0.878   6.454  20.541   1.662  -1.061  -0.363  H63  OP5  121  
OP5  H64  H64  H  0  1  N  N  N   0.939   1.896  20.807  -0.296  -3.229  -0.895  H64  OP5  122  
OP5  H65  H65  H  0  1  N  N  N   2.223   3.138  20.614   0.292  -4.659  -1.799  H65  OP5  123  
OP5  H66  H66  H  0  1  N  N  N  -0.976   4.360  19.655   1.826  -3.627   1.298  H66  OP5  124  
OP5  H67  H67  H  0  1  N  N  N  -5.302   2.392  23.575   8.123  -1.544   2.326  H67  OP5  125  
OP5  H68  H68  H  0  1  N  N  N  -4.632   3.379  24.918   8.150  -0.589   0.823  H68  OP5  126  
OP5  H69  H69  H  0  1  N  N  N  -7.999   4.448  24.633   9.402   0.310   3.379  H69  OP5  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
OP5  C34  C30  SING  N  N    1  
OP5  C34  C29  SING  N  N    2  
OP5  O49  C43  SING  N  N    3  
OP5  C30  C25  SING  N  N    4  
OP5  C29  C24  SING  N  N    5  
OP5  C48  C42  SING  N  N    6  
OP5  C27  C23  SING  N  N    7  
OP5  O33  C28  DOUB  N  N    8  
OP5  C20  C14  SING  N  N    9  
OP5  C43  C38  SING  N  N   10  
OP5  C43  C42  SING  N  N   11  
OP5  C38  C35  SING  N  N   12  
OP5  C28  C24  SING  N  N   13  
OP5  C28  O32  SING  N  N   14  
OP5  C42  C37  SING  N  N   15  
OP5  C25  N21  SING  N  N   16  
OP5  C24  N21  SING  N  N   17  
OP5  C37  O32  SING  N  N   18  
OP5  C37  C41  SING  N  N   19  
OP5  C14  C19  SING  N  N   20  
OP5  C14  C8   SING  N  N   21  
OP5  C23  C19  SING  N  N   22  
OP5  C23  C26  DOUB  N  E   23  
OP5  N21  C17  SING  N  N   24  
OP5  C46  C41  DOUB  N  E   25  
OP5  C46  C50  SING  N  N   26  
OP5  O45  C40  DOUB  N  N   27  
OP5  C35  C31  SING  N  N   28  
OP5  C35  O39  DOUB  N  N   29  
OP5  C41  C47  SING  N  N   30  
OP5  C31  C26  SING  N  N   31  
OP5  C31  C36  SING  N  N   32  
OP5  C8   C4   SING  N  N   33  
OP5  C52  C50  SING  N  N   34  
OP5  C52  C54  SING  N  N   35  
OP5  C17  O22  DOUB  N  N   36  
OP5  C17  C12  SING  N  N   37  
OP5  C51  C50  SING  N  N   38  
OP5  C51  C53  SING  N  N   39  
OP5  C4   O9   SING  N  N   40  
OP5  C4   C1   SING  N  N   41  
OP5  C40  C36  SING  N  N   42  
OP5  C40  C44  SING  N  N   43  
OP5  O18  C12  DOUB  N  N   44  
OP5  C55  C54  SING  N  N   45  
OP5  C55  C53  SING  N  N   46  
OP5  C55  O57  SING  N  N   47  
OP5  C12  C7   SING  N  N   48  
OP5  O3   C1   SING  N  N   49  
OP5  O3   C7   SING  N  N   50  
OP5  O56  C53  SING  N  N   51  
OP5  O56  C58  SING  N  N   52  
OP5  O9   C15  SING  N  N   53  
OP5  C1   C2   SING  N  N   54  
OP5  C7   C10  SING  N  N   55  
OP5  C7   O13  SING  N  N   56  
OP5  C2   O6   SING  N  N   57  
OP5  C2   C5   SING  N  N   58  
OP5  C10  C5   SING  N  N   59  
OP5  C10  C16  SING  N  N   60  
OP5  O6   C11  SING  N  N   61  
OP5  C1   H1   SING  N  N   62  
OP5  C2   H2   SING  N  N   63  
OP5  C42  H3   SING  N  N   64  
OP5  C43  H4   SING  N  N   65  
OP5  C44  H5   SING  N  N   66  
OP5  C44  H6   SING  N  N   67  
OP5  C44  H7   SING  N  N   68  
OP5  C46  H8   SING  N  N   69  
OP5  C47  H9   SING  N  N   70  
OP5  C47  H10  SING  N  N   71  
OP5  C47  H11  SING  N  N   72  
OP5  C48  H12  SING  N  N   73  
OP5  C48  H13  SING  N  N   74  
OP5  C48  H14  SING  N  N   75  
OP5  C50  H15  SING  N  N   76  
OP5  C51  H16  SING  N  N   77  
OP5  C51  H17  SING  N  N   78  
OP5  C52  H18  SING  N  N   79  
OP5  C52  H19  SING  N  N   80  
OP5  C53  H20  SING  N  N   81  
OP5  C55  H21  SING  N  N   82  
OP5  C58  H22  SING  N  N   83  
OP5  C58  H23  SING  N  N   84  
OP5  C58  H24  SING  N  N   85  
OP5  C11  H25  SING  N  N   86  
OP5  C11  H26  SING  N  N   87  
OP5  C11  H27  SING  N  N   88  
OP5  C14  H28  SING  N  N   89  
OP5  C15  H29  SING  N  N   90  
OP5  C15  H30  SING  N  N   91  
OP5  C15  H31  SING  N  N   92  
OP5  C16  H32  SING  N  N   93  
OP5  C16  H33  SING  N  N   94  
OP5  C16  H34  SING  N  N   95  
OP5  C19  H35  SING  N  N   96  
OP5  C19  H36  SING  N  N   97  
OP5  C20  H37  SING  N  N   98  
OP5  C20  H38  SING  N  N   99  
OP5  C20  H39  SING  N  N  100  
OP5  C24  H40  SING  N  N  101  
OP5  C25  H41  SING  N  N  102  
OP5  C25  H42  SING  N  N  103  
OP5  C26  H43  SING  N  N  104  
OP5  C27  H44  SING  N  N  105  
OP5  C27  H45  SING  N  N  106  
OP5  C27  H46  SING  N  N  107  
OP5  C29  H47  SING  N  N  108  
OP5  C29  H48  SING  N  N  109  
OP5  C30  H49  SING  N  N  110  
OP5  C30  H50  SING  N  N  111  
OP5  C4   H51  SING  N  N  112  
OP5  C5   H52  SING  N  N  113  
OP5  C5   H53  SING  N  N  114  
OP5  C8   H54  SING  N  N  115  
OP5  C8   H55  SING  N  N  116  
OP5  C10  H56  SING  N  N  117  
OP5  O13  H57  SING  N  N  118  
OP5  C31  H58  SING  N  N  119  
OP5  C34  H59  SING  N  N  120  
OP5  C34  H60  SING  N  N  121  
OP5  C36  H61  SING  N  N  122  
OP5  C36  H62  SING  N  N  123  
OP5  C37  H63  SING  N  N  124  
OP5  C38  H64  SING  N  N  125  
OP5  C38  H65  SING  N  N  126  
OP5  O49  H66  SING  N  N  127  
OP5  C54  H67  SING  N  N  128  
OP5  C54  H68  SING  N  N  129  
OP5  O57  H69  SING  N  N  130  
#   #
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
OP5  InChI             InChI                 1.03   "InChI=1S/C44H69NO13/c1-24-16-25(2)18-37(55-8)40-38(56-9)20-27(4)44(53,58-40)41(50)42(51)45-15-11-10-12-32(45)43(52)57-39(26(3)19-30-13-14-33(47)36(22-30)54-7)29(6)34(48)23-35(49)31(17-24)21-28(5)46/h17,19,25,27,29-34,36-40,47-48,53H,10-16,18,20-23H2,1-9H3/b24-17+,26-19+/t25-,27+,29+,30-,31-,32-,33+,34-,36+,37-,38-,39+,40+,44+/m0/s1"  
OP5  InChIKey          InChI                 1.03   DHEMNTLAGYUASY-BABZEESQSA-N  
OP5  SMILES_CANONICAL  CACTVS                3.385  "CO[C@@H]1C[C@@H](CC[C@H]1O)\C=C(/C)[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@]4(O)O[C@H]([C@H](C[C@@H](C)C\C(=C\[C@@H](CC(C)=O)C(=O)C[C@H](O)[C@H]2C)C)OC)[C@H](C[C@H]4C)OC"  
OP5  SMILES            CACTVS                3.385  "CO[CH]1C[CH](CC[CH]1O)C=C(C)[CH]2OC(=O)[CH]3CCCCN3C(=O)C(=O)[C]4(O)O[CH]([CH](C[CH](C)CC(=C[CH](CC(C)=O)C(=O)C[CH](O)[CH]2C)C)OC)[CH](C[CH]4C)OC"  
OP5  SMILES_CANONICAL  "OpenEye OEToolkits"  2.0.7  "C[C@@H]1C[C@@H]([C@@H]2[C@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC(=O)[C@@H](/C=C(/C1)\C)CC(=O)C)O)C)/C(=C/[C@@H]4CC[C@H]([C@@H](C4)OC)O)/C)O)C)OC)OC"  
OP5  SMILES            "OpenEye OEToolkits"  2.0.7  "CC1CC(C2C(CC(C(O2)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C(CC(=O)C(C=C(C1)C)CC(=O)C)O)C)C(=CC4CCC(C(C4)OC)O)C)O)C)OC)OC"  
#
_pdbx_chem_comp_identifier.comp_id          OP5
_pdbx_chem_comp_identifier.type             "SYSTEMATIC NAME"
_pdbx_chem_comp_identifier.program          "OpenEye OEToolkits"
_pdbx_chem_comp_identifier.program_version  2.0.7
_pdbx_chem_comp_identifier.identifier       "(1~{R},9~{S},12~{S},13~{R},14~{S},17~{R},18~{E},21~{S},23~{S},24~{R},25~{S},27~{R})-23,25-dimethoxy-12-[(~{E})-1-[(1~{R},3~{R},4~{R})-3-methoxy-4-oxidanyl-cyclohexyl]prop-1-en-2-yl]-13,19,21,27-tetramethyl-1,14-bis(oxidanyl)-17-(2-oxidanylidenepropyl)-11,28-dioxa-4-azatricyclo[22.3.1.0^{4,9}]octacos-18-ene-2,3,10,16-tetrone"
#   #
loop_
_pdbx_chem_comp_audit.comp_id
_pdbx_chem_comp_audit.action_type
_pdbx_chem_comp_audit.date
_pdbx_chem_comp_audit.processing_site
OP5  "Create component"  2020-03-25  PDBE  
OP5  "Initial release"   2021-03-10  RCSB  
##
