data_R9H
# 
_chem_comp.id                                    R9H 
_chem_comp.name                                  "Anderson-Evans polyoxometalate (biotin-functionalised)" 
_chem_comp.type                                  non-polymer 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C28 H42 Mn Mo6 N6 O28 S2" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    12 
_chem_comp.pdbx_initial_date                     2022-11-28 
_chem_comp.pdbx_modified_date                    2023-03-03 
_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                        1605.365 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     R9H 
_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   Y 
_chem_comp.pdbx_model_coordinates_db_code        8BQR 
_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 
R9H C1  C1  C  0 1 N N N -7.144  7.847  5.993  ? ? ? C1  R9H 1   
R9H C10 C2  C  0 1 N N N -7.355  9.147  3.770  ? ? ? C10 R9H 2   
R9H C11 C3  C  0 1 N N N -7.010  9.257  2.258  ? ? ? C11 R9H 3   
R9H C12 C4  C  0 1 N N N -9.766  6.645  15.346 ? ? ? C12 R9H 4   
R9H C13 C5  C  0 1 N N N -10.749 7.356  16.145 ? ? ? C13 R9H 5   
R9H C14 C6  C  0 1 N N N -10.230 7.809  17.512 ? ? ? C14 R9H 6   
R9H C15 C7  C  0 1 N N N -11.064 8.907  18.186 ? ? ? C15 R9H 7   
R9H C16 C8  C  0 1 N N S -10.977 9.084  19.693 ? ? ? C16 R9H 8   
R9H C17 C9  C  0 1 N N S -10.556 10.516 20.039 ? ? ? C17 R9H 9   
R9H C18 C10 C  0 1 N N R -11.015 10.832 21.492 ? ? ? C18 R9H 10  
R9H C19 C11 C  0 1 N N N -11.676 9.578  22.083 ? ? ? C19 R9H 11  
R9H C2  C12 C  0 1 N N N -6.872  9.165  6.692  ? ? ? C2  R9H 12  
R9H C20 C13 C  0 1 N N N -12.248 12.102 19.984 ? ? ? C20 R9H 13  
R9H C21 C14 C  0 1 N N N -8.003  10.239 1.560  ? ? ? C21 R9H 14  
R9H C22 C15 C  0 1 N N N -7.976  10.129 0.027  ? ? ? C22 R9H 15  
R9H C23 C16 C  0 1 N N N -8.931  11.075 -0.721 ? ? ? C23 R9H 16  
R9H C24 C17 C  0 1 N N S -9.117  10.950 -2.230 ? ? ? C24 R9H 17  
R9H C25 C18 C  0 1 N N S -10.562 10.561 -2.564 ? ? ? C25 R9H 18  
R9H C26 C19 C  0 1 N N R -10.903 11.039 -4.007 ? ? ? C26 R9H 19  
R9H C27 C20 C  0 1 N N N -9.638  11.633 -4.641 ? ? ? C27 R9H 20  
R9H C28 C21 C  0 1 N N N -12.114 12.286 -2.459 ? ? ? C28 R9H 21  
R9H C3  C22 C  0 1 N N N -6.175  6.743  6.487  ? ? ? C3  R9H 22  
R9H C4  C23 C  0 1 N N N -8.599  7.448  6.158  ? ? ? C4  R9H 23  
R9H C5  C24 C  0 1 N N N -8.267  7.131  11.860 ? ? ? C5  R9H 24  
R9H C6  C25 C  0 1 N N N -9.219  8.206  11.402 ? ? ? C6  R9H 25  
R9H C7  C26 C  0 1 N N N -6.798  7.534  11.719 ? ? ? C7  R9H 26  
R9H C8  C27 C  0 1 N N N -8.466  5.761  11.187 ? ? ? C8  R9H 27  
R9H C9  C28 C  0 1 N N N -9.101  7.488  14.230 ? ? ? C9  R9H 28  
R9H N1  N1  N  0 1 N N N -6.855  7.973  4.548  ? ? ? N1  R9H 29  
R9H N2  N2  N  0 1 N N N -8.291  6.725  13.263 ? ? ? N2  R9H 30  
R9H N3  N3  N  0 1 N N N -11.956 11.920 21.283 ? ? ? N3  R9H 31  
R9H N4  N4  N  0 1 N N N -11.267 11.512 19.260 ? ? ? N4  R9H 32  
R9H N5  N5  N  0 1 N N N -11.937 12.034 -3.767 ? ? ? N5  R9H 33  
R9H N6  N6  N  0 1 N N N -11.539 11.276 -1.764 ? ? ? N6  R9H 34  
R9H O1  O1  O  2 1 N N N -6.450  7.818  10.340 ? ? ? O1  R9H 35  
R9H O10 O2  O  0 1 N N N -5.700  5.180  10.014 ? ? ? O10 R9H 36  
R9H O11 O3  O  0 1 N N N -4.918  11.094 8.670  ? ? ? O11 R9H 37  
R9H O12 O4  O  0 1 N N N -8.039  11.908 8.054  ? ? ? O12 R9H 38  
R9H O13 O5  O  0 1 N N N -3.767  6.882  10.910 ? ? ? O13 R9H 39  
R9H O14 O6  O  0 1 N N N -4.578  9.876  11.137 ? ? ? O14 R9H 40  
R9H O15 O7  O  2 1 N N N -8.321  5.872  9.748  ? ? ? O15 R9H 41  
R9H O16 O8  O  2 1 N N N -9.038  7.250  7.526  ? ? ? O16 R9H 42  
R9H O17 O9  O  0 1 N N N -11.946 9.102  9.618  ? ? ? O17 R9H 43  
R9H O18 O10 O  0 1 N N N -10.889 6.651  9.139  ? ? ? O18 R9H 44  
R9H O19 O11 O  0 1 N N N -5.747  3.601  7.629  ? ? ? O19 R9H 45  
R9H O2  O12 O  2 1 N N N -9.083  8.581  9.973  ? ? ? O2  R9H 46  
R9H O20 O13 O  0 1 N N N -8.328  4.580  7.551  ? ? ? O20 R9H 47  
R9H O21 O14 O  0 1 N N N -10.914 5.122  6.822  ? ? ? O21 R9H 48  
R9H O22 O15 O  0 1 N N N -11.713 8.322  7.009  ? ? ? O22 R9H 49  
R9H O23 O16 O  0 1 N N N -7.411  3.064  9.705  ? ? ? O23 R9H 50  
R9H O24 O17 O  0 1 N N N -10.397 3.944  9.305  ? ? ? O24 R9H 51  
R9H O25 O18 O  0 1 N N N -13.375 12.418 19.538 ? ? ? O25 R9H 52  
R9H O26 O19 O  0 1 N N N -8.721  8.596  14.538 ? ? ? O26 R9H 53  
R9H O27 O20 O  0 1 N N N -8.220  9.877  4.198  ? ? ? O27 R9H 54  
R9H O28 O21 O  0 1 N N N -12.420 13.401 -1.977 ? ? ? O28 R9H 55  
R9H O3  O22 O  2 1 N N N -7.099  9.169  8.121  ? ? ? O3  R9H 56  
R9H O4  O23 O  2 1 N N N -6.336  6.463  7.893  ? ? ? O4  R9H 57  
R9H O5  O24 O  0 1 N N N -9.536  11.487 10.291 ? ? ? O5  R9H 58  
R9H O6  O25 O  0 1 N N N -7.097  10.439 10.323 ? ? ? O6  R9H 59  
R9H O7  O26 O  0 1 N N N -3.492  5.913  8.364  ? ? ? O7  R9H 60  
R9H O8  O27 O  0 1 N N N -4.568  8.410  8.704  ? ? ? O8  R9H 61  
R9H O9  O28 O  0 1 N N N -9.820  9.940  7.949  ? ? ? O9  R9H 62  
R9H S1  S1  S  0 1 N N N -12.492 8.766  20.682 ? ? ? S1  R9H 63  
R9H S2  S2  S  0 1 N N N -8.751  12.422 -3.272 ? ? ? S2  R9H 64  
R9H MN1 MN1 MN 0 0 N N N -7.721  7.524  8.924  ? ? ? MN1 R9H 65  
R9H MO1 MO1 MO 0 0 N N N -8.564  10.718 9.155  ? ? ? MO1 R9H 66  
R9H MO2 MO2 MO 0 0 N N N -4.586  6.641  9.452  ? ? ? MO2 R9H 67  
R9H MO3 MO3 MO 0 0 N N N -5.426  9.800  9.673  ? ? ? MO3 R9H 68  
R9H MO4 MO4 MO 0 0 N N N -10.864 8.442  8.489  ? ? ? MO4 R9H 69  
R9H MO5 MO5 MO 0 0 N N N -6.834  4.322  8.728  ? ? ? MO5 R9H 70  
R9H MO6 MO6 MO 0 0 N N N -9.976  5.213  8.257  ? ? ? MO6 R9H 71  
R9H H1  H1  H  0 1 N N N -5.983  9.634  2.144  ? ? ? H1  R9H 72  
R9H H2  H2  H  0 1 N N N -7.090  8.264  1.792  ? ? ? H2  R9H 73  
R9H H3  H3  H  0 1 N N N -8.975  6.284  16.019 ? ? ? H3  R9H 74  
R9H H4  H4  H  0 1 N N N -10.266 5.786  14.874 ? ? ? H4  R9H 75  
R9H H5  H5  H  0 1 N N N -11.071 8.246  15.585 ? ? ? H5  R9H 76  
R9H H6  H6  H  0 1 N N N -11.611 6.691  16.305 ? ? ? H6  R9H 77  
R9H H7  H7  H  0 1 N N N -10.213 6.934  18.179 ? ? ? H7  R9H 78  
R9H H8  H8  H  0 1 N N N -9.206  8.189  17.380 ? ? ? H8  R9H 79  
R9H H9  H9  H  0 1 N N N -10.764 9.863  17.732 ? ? ? H9  R9H 80  
R9H H10 H10 H  0 1 N N N -12.118 8.703  17.947 ? ? ? H10 R9H 81  
R9H H11 H11 H  0 1 N N N -10.219 8.391  20.087 ? ? ? H11 R9H 82  
R9H H12 H12 H  0 1 N N N -9.466  10.631 19.951 ? ? ? H12 R9H 83  
R9H H13 H13 H  0 1 N N N -10.157 11.144 22.105 ? ? ? H13 R9H 84  
R9H H14 H14 H  0 1 N N N -10.918 8.915  22.525 ? ? ? H14 R9H 85  
R9H H15 H15 H  0 1 N N N -12.413 9.856  22.851 ? ? ? H15 R9H 86  
R9H H16 H16 H  0 1 N N N -5.820  9.432  6.515  ? ? ? H16 R9H 87  
R9H H17 H17 H  0 1 N N N -7.524  9.928  6.243  ? ? ? H17 R9H 88  
R9H H18 H18 H  0 1 N N N -9.022  10.015 1.910  ? ? ? H18 R9H 89  
R9H H19 H19 H  0 1 N N N -7.736  11.268 1.843  ? ? ? H19 R9H 90  
R9H H20 H20 H  0 1 N N N -7.330  9.435  -0.490 ? ? ? H20 R9H 91  
R9H H21 H21 H  0 1 N N N -9.473  11.832 -0.174 ? ? ? H21 R9H 92  
R9H H22 H22 H  0 1 N N N -8.449  10.159 -2.601 ? ? ? H22 R9H 93  
R9H H23 H23 H  0 1 N N N -10.694 9.472  -2.486 ? ? ? H23 R9H 94  
R9H H24 H24 H  0 1 N N N -11.278 10.198 -4.608 ? ? ? H24 R9H 95  
R9H H25 H25 H  0 1 N N N -9.024  10.840 -5.093 ? ? ? H25 R9H 96  
R9H H26 H26 H  0 1 N N N -9.903  12.375 -5.409 ? ? ? H26 R9H 97  
R9H H27 H27 H  0 1 N N N -6.369  5.822  5.918  ? ? ? H27 R9H 98  
R9H H28 H28 H  0 1 N N N -5.141  7.074  6.308  ? ? ? H28 R9H 99  
R9H H29 H29 H  0 1 N N N -9.220  8.239  5.713  ? ? ? H29 R9H 100 
R9H H30 H30 H  0 1 N N N -8.757  6.507  5.611  ? ? ? H30 R9H 101 
R9H H31 H31 H  0 1 N N N -10.246 7.848  11.567 ? ? ? H31 R9H 102 
R9H H32 H32 H  0 1 N N N -9.041  9.104  12.011 ? ? ? H32 R9H 103 
R9H H33 H33 H  0 1 N N N -6.615  8.433  12.325 ? ? ? H33 R9H 104 
R9H H34 H34 H  0 1 N N N -6.166  6.711  12.084 ? ? ? H34 R9H 105 
R9H H35 H35 H  0 1 N N N -7.714  5.056  11.573 ? ? ? H35 R9H 106 
R9H H36 H36 H  0 1 N N N -9.474  5.387  11.421 ? ? ? H36 R9H 107 
R9H H37 H37 H  0 1 N N N -6.320  7.265  4.087  ? ? ? H37 R9H 108 
R9H H38 H38 H  0 1 N N N -7.761  5.933  13.566 ? ? ? H38 R9H 109 
R9H H39 H39 H  0 1 N N N -12.343 12.471 22.023 ? ? ? H39 R9H 110 
R9H H40 H40 H  0 1 N N N -11.059 11.735 18.308 ? ? ? H40 R9H 111 
R9H H41 H41 H  0 1 N N N -12.458 12.481 -4.494 ? ? ? H41 R9H 112 
R9H H42 H42 H  0 1 N N N -11.761 11.050 -0.815 ? ? ? H42 R9H 113 
# 
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 
R9H C1  C2  SING N N 1   
R9H C1  C3  SING N N 2   
R9H C1  C4  SING N N 3   
R9H C1  N1  SING N N 4   
R9H C10 C11 SING N N 5   
R9H C10 N1  SING N N 6   
R9H C10 O27 DOUB N N 7   
R9H C11 C21 SING N N 8   
R9H C12 C13 SING N N 9   
R9H C12 C9  SING N N 10  
R9H C13 C14 SING N N 11  
R9H C14 C15 SING N N 12  
R9H C15 C16 SING N N 13  
R9H C16 C17 SING N N 14  
R9H C16 S1  SING N N 15  
R9H C17 C18 SING N N 16  
R9H C17 N4  SING N N 17  
R9H C18 C19 SING N N 18  
R9H C18 N3  SING N N 19  
R9H C19 S1  SING N N 20  
R9H C2  O3  SING N N 21  
R9H C20 N3  SING N N 22  
R9H C20 N4  SING N N 23  
R9H C20 O25 DOUB N N 24  
R9H C21 C22 SING N N 25  
R9H C22 C23 DOUB N E 26  
R9H C23 C24 SING N N 27  
R9H C24 C25 SING N N 28  
R9H C24 S2  SING N N 29  
R9H C25 C26 SING N N 30  
R9H C25 N6  SING N N 31  
R9H C26 C27 SING N N 32  
R9H C26 N5  SING N N 33  
R9H C27 S2  SING N N 34  
R9H C28 N5  SING N N 35  
R9H C28 N6  SING N N 36  
R9H C28 O28 DOUB N N 37  
R9H C3  O4  SING N N 38  
R9H C4  O16 SING N N 39  
R9H C5  C6  SING N N 40  
R9H C5  C7  SING N N 41  
R9H C5  C8  SING N N 42  
R9H C5  N2  SING N N 43  
R9H C6  O2  SING N N 44  
R9H C7  O1  SING N N 45  
R9H C8  O15 SING N N 46  
R9H C9  N2  SING N N 47  
R9H C9  O26 DOUB N N 48  
R9H O1  MN1 SING N N 49  
R9H O1  MO2 SING N N 50  
R9H O1  MO3 SING N N 51  
R9H O10 MO2 SING N N 52  
R9H O10 MO5 SING N N 53  
R9H O11 MO3 SING N N 54  
R9H O12 MO1 SING N N 55  
R9H O13 MO2 SING N N 56  
R9H O14 MO3 SING N N 57  
R9H O15 MN1 SING N N 58  
R9H O15 MO5 SING N N 59  
R9H O15 MO6 SING N N 60  
R9H O16 MN1 SING N N 61  
R9H O16 MO4 SING N N 62  
R9H O16 MO6 SING N N 63  
R9H O17 MO4 SING N N 64  
R9H O18 MO4 SING N N 65  
R9H O18 MO6 SING N N 66  
R9H O19 MO5 SING N N 67  
R9H O2  MN1 SING N N 68  
R9H O2  MO1 SING N N 69  
R9H O2  MO4 SING N N 70  
R9H O20 MO5 SING N N 71  
R9H O20 MO6 SING N N 72  
R9H O21 MO6 SING N N 73  
R9H O22 MO4 SING N N 74  
R9H O23 MO5 SING N N 75  
R9H O24 MO6 SING N N 76  
R9H O3  MN1 SING N N 77  
R9H O3  MO1 SING N N 78  
R9H O3  MO3 SING N N 79  
R9H O4  MN1 SING N N 80  
R9H O4  MO2 SING N N 81  
R9H O4  MO5 SING N N 82  
R9H O5  MO1 SING N N 83  
R9H O6  MO1 SING N N 84  
R9H O6  MO3 SING N N 85  
R9H O7  MO2 SING N N 86  
R9H O8  MO2 SING N N 87  
R9H O8  MO3 SING N N 88  
R9H O9  MO1 SING N N 89  
R9H O9  MO4 SING N N 90  
R9H C11 H1  SING N N 91  
R9H C11 H2  SING N N 92  
R9H C12 H3  SING N N 93  
R9H C12 H4  SING N N 94  
R9H C13 H5  SING N N 95  
R9H C13 H6  SING N N 96  
R9H C14 H7  SING N N 97  
R9H C14 H8  SING N N 98  
R9H C15 H9  SING N N 99  
R9H C15 H10 SING N N 100 
R9H C16 H11 SING N N 101 
R9H C17 H12 SING N N 102 
R9H C18 H13 SING N N 103 
R9H C19 H14 SING N N 104 
R9H C19 H15 SING N N 105 
R9H C2  H16 SING N N 106 
R9H C2  H17 SING N N 107 
R9H C21 H18 SING N N 108 
R9H C21 H19 SING N N 109 
R9H C22 H20 SING N N 110 
R9H C23 H21 SING N N 111 
R9H C24 H22 SING N N 112 
R9H C25 H23 SING N N 113 
R9H C26 H24 SING N N 114 
R9H C27 H25 SING N N 115 
R9H C27 H26 SING N N 116 
R9H C3  H27 SING N N 117 
R9H C3  H28 SING N N 118 
R9H C4  H29 SING N N 119 
R9H C4  H30 SING N N 120 
R9H C6  H31 SING N N 121 
R9H C6  H32 SING N N 122 
R9H C7  H33 SING N N 123 
R9H C7  H34 SING N N 124 
R9H C8  H35 SING N N 125 
R9H C8  H36 SING N N 126 
R9H N1  H37 SING N N 127 
R9H N2  H38 SING N N 128 
R9H N3  H39 SING N N 129 
R9H N4  H40 SING N N 130 
R9H N5  H41 SING N N 131 
R9H N6  H42 SING N N 132 
# 
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 
R9H InChI            InChI                1.06    "InChI=1S/C14H22N3O5S.C14H20N3O5S.Mn.6Mo.12H2O.6O/c2*18-6-14(7-19,8-20)17-11(21)4-2-1-3-10-12-9(5-23-10)15-13(22)16-12;;;;;;;;;;;;;;;;;;;;;;;;;/h9-10,12H,1-8H2,(H,17,21)(H2,15,16,22);1,3,9-10,12H,2,4-8H2,(H,17,21)(H2,15,16,22);;;;;;;;12*1H2;;;;;;/q2*+6;;6*+2;;;;;;;;;;;;;;;;;;/p-12/b;3-1+;;;;;;;;;;;;;;;;;;;;;;;;;/t2*9-,10-,12-;;;;;;;;;;;;;;;;;;;;;;;;;/m00........................./s1" 
R9H InChIKey         InChI                1.06    FAMSJMQNBBSNDI-XDUIEFGPSA-B                                                                                                                                                                                                                                                                                                                                                                       
R9H SMILES_CANONICAL CACTVS               3.385   "O.O.O.O.O.O.O.O.O.O.O.O.O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NC34C[O++]56[Mo]78O[Mo]59O[Mo]%10%11O[Mo]%12%13O[Mo]%14%15O[Mo]%16(O7)[O++]%14(C3)[Mn]6%17%18([O++]%10%12C4)[O++]8%16CC(C[O++]9%11%17)(C[O++]%13%15%18)NC(=O)CC\C=C\[C@@H]%19SC[C@@H]%20NC(=O)N[C@H]%19%20"                                                                                                                       
R9H SMILES           CACTVS               3.385   "O.O.O.O.O.O.O.O.O.O.O.O.O=C(CCCC[CH]1SC[CH]2NC(=O)N[CH]12)NC34C[O++]56[Mo]78O[Mo]59O[Mo]%10%11O[Mo]%12%13O[Mo]%14%15O[Mo]%16(O7)[O++]%14(C3)[Mn]6%17%18([O++]%10%12C4)[O++]8%16CC(C[O++]9%11%17)(C[O++]%13%15%18)NC(=O)CCC=C[CH]%19SC[CH]%20NC(=O)N[CH]%19%20"                                                                                                                                   
R9H SMILES_CANONICAL "OpenEye OEToolkits" 3.1.0.0 "C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NC34C[O+2]56[Mn]7891[O+2]%10(C3)[Mo]3%11([O+2]77[Mo]5(O3)(O[Mo]63([O+2]85CC(C7)(C[O+2]96[Mo]%10(O%11)(O[Mo]66([O+2]1(C4)[Mo]5(O3)(O6)([O])[O])([O])[O])([O])[O])NC(=O)CC/C=C/[C@H]1[C@@H]3[C@H](CS1)NC(=O)N3)([O])[O])([O])[O])([O])[O])NC(=O)N2"                                                                                                              
R9H SMILES           "OpenEye OEToolkits" 3.1.0.0 "C1C2C(C(S1)CCCCC(=O)NC34C[O+2]56[Mn]7891[O+2]%10(C3)[Mo]3%11([O+2]77[Mo]5(O3)(O[Mo]63([O+2]85CC(C7)(C[O+2]96[Mo]%10(O%11)(O[Mo]66([O+2]1(C4)[Mo]5(O3)(O6)([O])[O])([O])[O])([O])[O])NC(=O)CCC=CC1C3C(CS1)NC(=O)N3)([O])[O])([O])[O])([O])[O])NC(=O)N2"                                                                                                                                           
# 
loop_
_pdbx_chem_comp_audit.comp_id 
_pdbx_chem_comp_audit.action_type 
_pdbx_chem_comp_audit.date 
_pdbx_chem_comp_audit.processing_site 
R9H "Create component" 2022-11-28 PDBE 
R9H "Initial release"  2023-03-08 RCSB 
# 
