data_A1AZ7
# 
_chem_comp.id                                    A1AZ7 
_chem_comp.name                                  Nystatin 
_chem_comp.type                                  non-polymer 
_chem_comp.pdbx_type                             HETAD 
_chem_comp.formula                               "C47 H75 N O17" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         "(1S,3R,4R,7R,9R,11R,15S,16R,17R,18S,19E,21E,25E,27E,29E,31E,33R,35S,36R,37S)-33-[(3-amino-3,6-dideoxy-beta-D-mannopyranosyl)oxy]-1,3,4,7,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,25,27,29,31-hexaene-36-carboxylic acid" 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2024-07-29 
_chem_comp.pdbx_modified_date                    2025-01-24 
_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                        926.095 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     A1AZ7 
_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        9CV8 
_chem_comp.pdbx_subcomponent_list                ? 
_chem_comp.pdbx_processing_site                  RCSB 
_chem_comp.pdbx_pcm                              ? 
# 
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_n_terminal_atom_flag 
_chem_comp_atom.pdbx_backbone_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 
A1AZ7 C19 C1  C 0 1 N N S N N N 53.281 5.379   -64.445 4.240   3.550  0.635  C19 A1AZ7 1   
A1AZ7 C20 C2  C 0 1 N N S N N N 52.095 7.279   -63.480 5.567   1.582  0.940  C20 A1AZ7 2   
A1AZ7 C21 C3  C 0 1 N N R N N N 53.317 8.100   -63.859 6.497   1.795  -0.257 C21 A1AZ7 3   
A1AZ7 C22 C4  C 0 1 N N S N N N 53.741 7.772   -65.257 6.081   3.077  -0.984 C22 A1AZ7 4   
A1AZ7 C23 C5  C 0 1 N N N N N N 54.127 6.325   -65.339 5.531   4.089  0.019  C23 A1AZ7 5   
A1AZ7 C24 C6  C 0 1 N N N N N N 53.456 3.882   -64.615 3.039   4.018  -0.192 C24 A1AZ7 6   
A1AZ7 C25 C7  C 0 1 N N N N N N 51.595 7.745   -62.042 5.460   0.092  1.263  C25 A1AZ7 7   
A1AZ7 C26 C8  C 0 1 N N R N N N 52.265 3.005   -64.262 1.935   4.511  0.747  C26 A1AZ7 8   
A1AZ7 C27 C9  C 0 1 N N R N N N 50.033 7.568   -61.904 4.602   -0.637 0.232  C27 A1AZ7 9   
A1AZ7 C28 C10 C 0 1 N N N N N N 52.872 9.594   -63.841 7.919   1.926  0.225  C28 A1AZ7 10  
A1AZ7 C29 C11 C 0 1 N N R N N N 52.790 1.566   -64.182 0.854   5.234  -0.059 C29 A1AZ7 11  
A1AZ7 C30 C12 C 0 1 N N R N N N 49.184 9.898   -61.693 6.344   -2.154 -0.406 C30 A1AZ7 12  
A1AZ7 C31 C13 C 0 1 N N S N N N 49.886 11.184  -62.265 6.859   -2.905 -1.637 C31 A1AZ7 13  
A1AZ7 C32 C14 C 0 1 N N N N N N 51.684 0.550   -63.903 -0.501  5.062  0.625  C32 A1AZ7 14  
A1AZ7 C33 C15 C 0 1 N N S N N N 49.617 12.409  -61.337 7.876   -3.961 -1.192 C33 A1AZ7 15  
A1AZ7 C34 C16 C 0 1 N N S N N N 48.089 12.604  -61.227 9.004   -3.273 -0.417 C34 A1AZ7 16  
A1AZ7 C35 C17 C 0 1 N N R N N N 47.453 11.289  -60.673 8.406   -2.508 0.767  C35 A1AZ7 17  
A1AZ7 C36 C18 C 0 1 N N N N N N 49.609 6.288   -62.615 3.889   -1.790 0.887  C36 A1AZ7 18  
A1AZ7 C37 C19 C 0 1 N N N N N N 51.506 0.170   -62.426 -1.500  6.072  0.059  C37 A1AZ7 19  
A1AZ7 C38 C20 C 0 1 N N R N N N 50.263 -0.716  -62.178 -2.813  5.357  -0.269 C38 A1AZ7 20  
A1AZ7 C39 C21 C 0 1 N N N N N N 45.941 11.410  -60.482 9.519   -1.769 1.512  C39 A1AZ7 21  
A1AZ7 C40 C22 C 0 1 N N N N N N 50.509 -2.214  -62.353 -3.981  6.126  0.353  C40 A1AZ7 22  
A1AZ7 C41 C23 C 0 1 N N N N N N 48.760 5.379   -62.068 3.384   -2.789 0.159  C41 A1AZ7 23  
A1AZ7 C42 C24 C 0 1 N N R N N N 49.303 -2.957  -62.974 -5.262  5.818  -0.425 C42 A1AZ7 24  
A1AZ7 C43 C25 C 0 1 N N N N N N 49.628 -4.337  -63.497 -6.278  5.163  0.515  C43 A1AZ7 25  
A1AZ7 C44 C26 C 0 1 N N R N N N 48.338 -5.142  -63.692 -7.463  4.648  -0.305 C44 A1AZ7 26  
A1AZ7 C45 C27 C 0 1 N N N N N N 48.349 4.140   -62.752 2.646   -3.854 0.835  C45 A1AZ7 27  
A1AZ7 C46 C28 C 0 1 N N N N N N 48.164 -6.198  -62.565 -8.275  3.664  0.540  C46 A1AZ7 28  
A1AZ7 C47 C29 C 0 1 N N R N N N 45.563 -9.568  -60.989 -9.051  -1.173 0.484  C47 A1AZ7 29  
A1AZ7 C48 C30 C 0 1 N N R N N N 44.083 -10.241 -61.042 -9.480  -2.380 -0.354 C48 A1AZ7 30  
A1AZ7 C49 C31 C 0 1 N N S N N N 46.360 -9.518  -62.378 -8.910  0.056  -0.415 C49 A1AZ7 31  
A1AZ7 C50 C32 C 0 1 N N S N N N 43.073 -9.533  -62.044 -9.372  -3.653 0.491  C50 A1AZ7 32  
A1AZ7 C51 C33 C 0 1 N N N N N N 47.454 3.240   -62.228 1.946   -4.767 0.124  C51 A1AZ7 33  
A1AZ7 C52 C34 C 0 1 N N N N N N 47.422 -7.417  -62.980 -8.505  2.397  -0.244 C52 A1AZ7 34  
A1AZ7 C53 C35 C 0 1 N N N N N N 46.461 -10.246 -59.903 -7.707  -1.470 1.153  C53 A1AZ7 35  
A1AZ7 C54 C36 C 0 1 N N N N N N 46.981 -10.893 -62.709 -7.719  -0.134 -1.356 C54 A1AZ7 36  
A1AZ7 C55 C37 C 0 1 N N N N N N 41.667 -10.156 -61.842 -10.751 -4.305 0.609  C55 A1AZ7 37  
A1AZ7 C56 C38 C 0 1 N N N N N N 43.073 -8.037  -61.768 -8.417  -4.615 -0.167 C56 A1AZ7 38  
A1AZ7 C57 C39 C 0 1 N N N N N N 47.038 1.992   -62.887 1.018   -5.594 0.801  C57 A1AZ7 39  
A1AZ7 C58 C40 C 0 1 N N N N N N 43.676 -7.104  -62.554 -7.498  -5.238 0.560  C58 A1AZ7 40  
A1AZ7 C59 C41 C 0 1 N N N N N N 46.175 1.067   -62.346 0.075   -6.259 0.099  C59 A1AZ7 41  
A1AZ7 C60 C42 C 0 1 N N N N N N 43.670 -5.672  -62.245 -6.565  -6.176 -0.080 C60 A1AZ7 42  
A1AZ7 C61 C43 C 0 1 N N N N N N 45.793 -0.164  -63.027 -1.080  -6.823 0.802  C61 A1AZ7 43  
A1AZ7 C62 C44 C 0 1 N N N N N N 43.822 -4.680  -63.157 -5.521  -6.642 0.598  C62 A1AZ7 44  
A1AZ7 C63 C45 C 0 1 N N N N N N 43.828 -3.211  -62.821 -4.573  -7.607 -0.065 C63 A1AZ7 45  
A1AZ7 C64 C46 C 0 1 N N N N N N 45.164 -2.580  -63.175 -3.338  -7.815 0.815  C64 A1AZ7 46  
A1AZ7 C65 C47 C 0 1 N N N N N N 45.510 -1.338  -62.417 -2.126  -7.268 0.105  C65 A1AZ7 47  
A1AZ7 N18 N1  N 0 1 N N N N N N 50.276 13.628  -61.833 8.432   -4.635 -2.373 N18 A1AZ7 48  
A1AZ7 O01 O1  O 0 1 N N N N N N 52.377 5.846   -63.472 4.277   2.121  0.645  O01 A1AZ7 49  
A1AZ7 O02 O2  O 0 1 N N N N N N 52.217 5.336   -65.445 4.110   4.039  1.969  O02 A1AZ7 50  
A1AZ7 O03 O3  O 0 1 N N N N N N 54.920 8.516   -65.528 5.072   2.770  -1.947 O03 A1AZ7 51  
A1AZ7 O04 O4  O 0 1 N N N N N N 49.348 8.726   -62.509 5.437   -1.130 -0.818 O04 A1AZ7 52  
A1AZ7 O05 O5  O 0 1 N N N N N N 47.775 10.178  -61.535 7.446   -1.564 0.287  O05 A1AZ7 53  
A1AZ7 O06 O6  O 0 1 N N N N N N 51.381 3.147   -65.363 2.494   5.411  1.706  O06 A1AZ7 54  
A1AZ7 O07 O7  O 0 1 N N N N N N 51.909 9.916   -64.583 8.165   1.857  1.406  O07 A1AZ7 55  
A1AZ7 O08 O8  O 0 1 N N N N N N 53.413 1.250   -65.437 1.173   6.624  -0.142 O08 A1AZ7 56  
A1AZ7 O09 O9  O 0 1 N N N N N N 53.511 10.414  -63.081 8.911   2.120  -0.658 O09 A1AZ7 57  
A1AZ7 O10 O10 O 0 1 N N N N N N 49.350 11.427  -63.556 7.488   -1.983 -2.530 O10 A1AZ7 58  
A1AZ7 O11 O11 O 0 1 N N N N N N 47.765 13.649  -60.318 9.921   -4.257 0.065  O11 A1AZ7 59  
A1AZ7 O12 O12 O 0 1 N N N N N N 49.354 -0.407  -63.231 -2.779  4.031  0.262  O12 A1AZ7 60  
A1AZ7 O13 O13 O 0 1 N N N N N N 48.916 -2.221  -64.123 -4.964  4.928  -1.502 O13 A1AZ7 61  
A1AZ7 O14 O14 O 0 1 N N N N N N 48.458 -5.763  -64.977 -6.980  3.986  -1.476 O14 A1AZ7 62  
A1AZ7 O15 O15 O 0 1 N N N N N N 47.362 -8.540  -62.249 -8.698  1.236  0.401  O15 A1AZ7 63  
A1AZ7 O16 O16 O 0 1 N N N N N N 44.215 -11.599 -61.474 -10.832 -2.206 -0.782 O16 A1AZ7 64  
A1AZ7 O17 O17 O 0 1 N N N N N N 46.805 -7.431  -64.084 -8.516  2.427  -1.452 O17 A1AZ7 65  
A1AZ7 H1  H1  H 0 1 N N N N N N 51.291 7.491   -64.200 5.977   2.103  1.813  H1  A1AZ7 66  
A1AZ7 H2  H2  H 0 1 N N N N N N 54.137 7.936   -63.145 6.418   0.946  -0.937 H2  A1AZ7 67  
A1AZ7 H3  H3  H 0 1 N N N N N N 52.937 8.001   -65.972 6.947   3.503  -1.490 H3  A1AZ7 68  
A1AZ7 H4  H4  H 0 1 N N N N N N 54.017 5.999   -66.384 5.325   5.030  -0.491 H4  A1AZ7 69  
A1AZ7 H5  H5  H 0 1 N N N N N N 55.180 6.233   -65.035 6.266   4.256  0.806  H5  A1AZ7 70  
A1AZ7 H6  H6  H 0 1 N N N N N N 53.706 3.694   -65.670 3.345   4.830  -0.851 H6  A1AZ7 71  
A1AZ7 H7  H7  H 0 1 N N N N N N 54.297 3.571   -63.978 2.663   3.187  -0.790 H7  A1AZ7 72  
A1AZ7 H8  H8  H 0 1 N N N N N N 52.095 7.139   -61.273 6.458   -0.345 1.270  H8  A1AZ7 73  
A1AZ7 H9  H9  H 0 1 N N N N N N 51.851 8.805   -61.898 5.012   -0.028 2.249  H9  A1AZ7 74  
A1AZ7 H10 H10 H 0 1 N N N N N N 51.812 3.314   -63.308 1.493   3.660  1.265  H10 A1AZ7 75  
A1AZ7 H11 H11 H 0 1 N N N N N N 49.779 7.494   -60.836 3.868   0.055  -0.183 H11 A1AZ7 76  
A1AZ7 H12 H12 H 0 1 N N N N N N 53.532 1.509   -63.372 0.809   4.812  -1.064 H12 A1AZ7 77  
A1AZ7 H13 H13 H 0 1 N N N N N N 49.619 9.704   -60.701 5.830   -2.851 0.256  H13 A1AZ7 78  
A1AZ7 H14 H14 H 0 1 N N N N N N 50.970 11.004  -62.316 6.025   -3.392 -2.142 H14 A1AZ7 79  
A1AZ7 H15 H15 H 0 1 N N N N N N 50.734 0.973   -64.263 -0.870  4.052  0.451  H15 A1AZ7 80  
A1AZ7 H16 H16 H 0 1 N N N N N N 51.914 -0.367  -64.465 -0.389  5.226  1.697  H16 A1AZ7 81  
A1AZ7 H17 H17 H 0 1 N N N N N N 50.006 12.170  -60.336 7.385   -4.692 -0.550 H17 A1AZ7 82  
A1AZ7 H18 H18 H 0 1 N N N N N N 47.676 12.809  -62.226 9.526   -2.577 -1.073 H18 A1AZ7 83  
A1AZ7 H19 H19 H 0 1 N N N N N N 47.898 11.106  -59.684 7.919   -3.209 1.444  H19 A1AZ7 84  
A1AZ7 H20 H20 H 0 1 N N N N N N 50.003 6.094   -63.602 3.775   -1.810 1.962  H20 A1AZ7 85  
A1AZ7 H21 H21 H 0 1 N N N N N N 52.400 -0.379  -62.095 -1.686  6.853  0.797  H21 A1AZ7 86  
A1AZ7 H22 H22 H 0 1 N N N N N N 51.403 1.093   -61.836 -1.093  6.518  -0.848 H22 A1AZ7 87  
A1AZ7 H23 H23 H 0 1 N N N N N N 49.836 -0.507  -61.186 -2.943  5.312  -1.350 H23 A1AZ7 88  
A1AZ7 H24 H24 H 0 1 N N N N N N 45.721 12.262  -59.822 10.006  -1.067 0.835  H24 A1AZ7 89  
A1AZ7 H25 H25 H 0 1 N N N N N N 45.460 11.568  -61.458 9.093   -1.224 2.355  H25 A1AZ7 90  
A1AZ7 H26 H26 H 0 1 N N N N N N 45.554 10.486  -60.028 10.252  -2.489 1.878  H26 A1AZ7 91  
A1AZ7 H27 H27 H 0 1 N N N N N N 50.720 -2.652  -61.366 -4.105  5.821  1.392  H27 A1AZ7 92  
A1AZ7 H28 H28 H 0 1 N N N N N N 51.381 -2.352  -63.009 -3.777  7.196  0.309  H28 A1AZ7 93  
A1AZ7 H29 H29 H 0 1 N N N N N N 48.366 5.574   -61.082 3.496   -2.796 -0.915 H29 A1AZ7 94  
A1AZ7 H30 H30 H 0 1 N N N N N N 48.487 -3.014  -62.239 -5.678  6.744  -0.822 H30 A1AZ7 95  
A1AZ7 H31 H31 H 0 1 N N N N N N 50.276 -4.857  -62.776 -5.806  4.331  1.037  H31 A1AZ7 96  
A1AZ7 H32 H32 H 0 1 N N N N N N 50.150 -4.247  -64.461 -6.628  5.897  1.242  H32 A1AZ7 97  
A1AZ7 H33 H33 H 0 1 N N N N N N 47.478 -4.456  -63.673 -8.095  5.487  -0.596 H33 A1AZ7 98  
A1AZ7 H34 H34 H 0 1 N N N N N N 48.776 3.928   -63.721 2.660   -3.917 1.915  H34 A1AZ7 99  
A1AZ7 H35 H35 H 0 1 N N N N N N 49.163 -6.503  -62.221 -7.728  3.432  1.453  H35 A1AZ7 100 
A1AZ7 H36 H36 H 0 1 N N N N N N 47.618 -5.728  -61.734 -9.236  4.112  0.795  H36 A1AZ7 101 
A1AZ7 H37 H37 H 0 1 N N N N N N 45.415 -8.524  -60.676 -9.802  -0.979 1.249  H37 A1AZ7 102 
A1AZ7 H38 H38 H 0 1 N N N N N N 43.655 -10.198 -60.030 -8.831  -2.467 -1.226 H38 A1AZ7 103 
A1AZ7 H39 H39 H 0 1 N N N N N N 45.649 -9.248  -63.173 -9.820  0.181  -1.004 H39 A1AZ7 104 
A1AZ7 H40 H40 H 0 1 N N N N N N 43.408 -9.719  -63.075 -9.004  -3.398 1.485  H40 A1AZ7 105 
A1AZ7 H41 H41 H 0 1 N N N N N N 47.025 3.464   -61.263 2.034   -4.829 -0.948 H41 A1AZ7 106 
A1AZ7 H42 H42 H 0 1 N N N N N N 45.917 -10.282 -58.947 -6.945  -1.616 0.388  H42 A1AZ7 107 
A1AZ7 H43 H43 H 0 1 N N N N N N 46.712 -11.269 -60.221 -7.426  -0.633 1.791  H43 A1AZ7 108 
A1AZ7 H44 H44 H 0 1 N N N N N N 47.386 -9.664  -59.777 -7.794  -2.374 1.757  H44 A1AZ7 109 
A1AZ7 H45 H45 H 0 1 N N N N N N 46.182 -11.643 -62.806 -6.809  -0.258 -0.768 H45 A1AZ7 110 
A1AZ7 H46 H46 H 0 1 N N N N N N 47.537 -10.826 -63.656 -7.878  -1.021 -1.969 H46 A1AZ7 111 
A1AZ7 H47 H47 H 0 1 N N N N N N 47.666 -11.190 -61.901 -7.620  0.740  -1.999 H47 A1AZ7 112 
A1AZ7 H48 H48 H 0 1 N N N N N N 41.710 -11.235 -62.051 -10.674 -5.210 1.212  H48 A1AZ7 113 
A1AZ7 H49 H49 H 0 1 N N N N N N 41.341 -9.996  -60.804 -11.442 -3.609 1.085  H49 A1AZ7 114 
A1AZ7 H50 H50 H 0 1 N N N N N N 40.952 -9.678  -62.528 -11.119 -4.560 -0.384 H50 A1AZ7 115 
A1AZ7 H51 H51 H 0 1 N N N N N N 42.557 -7.690  -60.885 -8.478  -4.788 -1.231 H51 A1AZ7 116 
A1AZ7 H52 H52 H 0 1 N N N N N N 47.440 1.787   -63.868 1.068   -5.697 1.876  H52 A1AZ7 117 
A1AZ7 H53 H53 H 0 1 N N N N N N 44.183 -7.435  -63.448 -7.437  -5.057 1.622  H53 A1AZ7 118 
A1AZ7 H54 H54 H 0 1 N N N N N N 45.760 1.263   -61.368 0.123   -6.307 -0.977 H54 A1AZ7 119 
A1AZ7 H55 H55 H 0 1 N N N N N N 43.534 -5.385  -61.213 -6.720  -6.476 -1.105 H55 A1AZ7 120 
A1AZ7 H56 H56 H 0 1 N N N N N N 45.731 -0.137  -64.105 -1.077  -6.877 1.881  H56 A1AZ7 121 
A1AZ7 H57 H57 H 0 1 N N N N N N 43.947 -4.961  -64.192 -5.353  -6.328 1.616  H57 A1AZ7 122 
A1AZ7 H58 H58 H 0 1 N N N N N N 43.645 -3.087  -61.743 -5.075  -8.562 -0.215 H58 A1AZ7 123 
A1AZ7 H59 H59 H 0 1 N N N N N N 43.031 -2.708  -63.388 -4.264  -7.205 -1.030 H59 A1AZ7 124 
A1AZ7 H60 H60 H 0 1 N N N N N N 45.951 -3.324  -62.984 -3.472  -7.292 1.761  H60 A1AZ7 125 
A1AZ7 H61 H61 H 0 1 N N N N N N 45.148 -2.330  -64.246 -3.200  -8.880 1.003  H61 A1AZ7 126 
A1AZ7 H62 H62 H 0 1 N N N N N N 45.535 -1.380  -61.338 -2.102  -7.232 -0.976 H62 A1AZ7 127 
A1AZ7 H63 H63 H 0 1 N N N N N N 50.081 14.389  -61.214 7.706   -5.090 -2.905 H63 A1AZ7 128 
A1AZ7 H64 H64 H 0 1 N N N N N N 51.264 13.479  -61.876 8.951   -3.988 -2.948 H64 A1AZ7 129 
A1AZ7 H66 H66 H 0 1 N N N N N N 51.511 4.781   -65.134 3.310   3.740  2.422  H66 A1AZ7 130 
A1AZ7 H67 H67 H 0 1 N N N N N N 54.725 9.445   -65.487 4.760   3.536  -2.447 H67 A1AZ7 131 
A1AZ7 H68 H68 H 0 1 N N N N N N 50.603 2.622   -65.215 1.851   5.764  2.336  H68 A1AZ7 132 
A1AZ7 H69 H69 H 0 1 N N N N N N 53.747 0.361   -65.410 0.530   7.146  -0.641 H69 A1AZ7 133 
A1AZ7 H70 H70 H 0 1 N N N N N N 53.142 11.284  -63.172 9.807   2.198  -0.301 H70 A1AZ7 134 
A1AZ7 H71 H71 H 0 1 N N N N N N 49.757 12.201  -63.928 6.902   -1.283 -2.848 H71 A1AZ7 135 
A1AZ7 H72 H72 H 0 1 N N N N N N 46.821 13.747  -60.270 10.663  -3.891 0.567  H72 A1AZ7 136 
A1AZ7 H73 H73 H 0 1 N N N N N N 48.564 -0.926  -63.131 -2.747  3.995  1.228  H73 A1AZ7 137 
A1AZ7 H74 H74 H 0 1 N N N N N N 48.694 -1.332  -63.871 -4.533  4.108  -1.227 H74 A1AZ7 138 
A1AZ7 H75 H75 H 0 1 N N N N N N 47.900 -6.531  -65.012 -6.464  3.189  -1.293 H75 A1AZ7 139 
A1AZ7 H76 H76 H 0 1 N N N N N N 44.814 -12.058 -60.897 -11.172 -2.935 -1.319 H76 A1AZ7 140 
# 
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 
A1AZ7 O03 C22 SING N N 1   
A1AZ7 O02 C19 SING N N 2   
A1AZ7 O08 C29 SING N N 3   
A1AZ7 O06 C26 SING N N 4   
A1AZ7 C23 C22 SING N N 5   
A1AZ7 C23 C19 SING N N 6   
A1AZ7 C22 C21 SING N N 7   
A1AZ7 O14 C44 SING N N 8   
A1AZ7 C24 C19 SING N N 9   
A1AZ7 C24 C26 SING N N 10  
A1AZ7 O07 C28 DOUB N N 11  
A1AZ7 C19 O01 SING N N 12  
A1AZ7 C26 C29 SING N N 13  
A1AZ7 C29 C32 SING N N 14  
A1AZ7 O13 C42 SING N N 15  
A1AZ7 O17 C52 DOUB N N 16  
A1AZ7 C32 C37 SING N N 17  
A1AZ7 C21 C28 SING N N 18  
A1AZ7 C21 C20 SING N N 19  
A1AZ7 C28 O09 SING N N 20  
A1AZ7 C44 C43 SING N N 21  
A1AZ7 C44 C46 SING N N 22  
A1AZ7 O10 C31 SING N N 23  
A1AZ7 C43 C42 SING N N 24  
A1AZ7 C20 O01 SING N N 25  
A1AZ7 C20 C25 SING N N 26  
A1AZ7 O12 C38 SING N N 27  
A1AZ7 C64 C63 SING N N 28  
A1AZ7 C64 C65 SING N N 29  
A1AZ7 C62 C63 SING N N 30  
A1AZ7 C62 C60 DOUB N E 31  
A1AZ7 C61 C65 DOUB N E 32  
A1AZ7 C61 C59 SING N N 33  
A1AZ7 C52 C46 SING N N 34  
A1AZ7 C52 O15 SING N N 35  
A1AZ7 C42 C40 SING N N 36  
A1AZ7 C57 C59 DOUB N E 37  
A1AZ7 C57 C51 SING N N 38  
A1AZ7 C45 C51 DOUB N E 39  
A1AZ7 C45 C41 SING N N 40  
A1AZ7 C54 C49 SING N N 41  
A1AZ7 C36 C41 DOUB N E 42  
A1AZ7 C36 C27 SING N N 43  
A1AZ7 C58 C60 SING N N 44  
A1AZ7 C58 C56 DOUB N E 45  
A1AZ7 O04 C27 SING N N 46  
A1AZ7 O04 C30 SING N N 47  
A1AZ7 C37 C38 SING N N 48  
A1AZ7 C49 O15 SING N N 49  
A1AZ7 C49 C47 SING N N 50  
A1AZ7 C40 C38 SING N N 51  
A1AZ7 C31 C30 SING N N 52  
A1AZ7 C31 C33 SING N N 53  
A1AZ7 C50 C55 SING N N 54  
A1AZ7 C50 C56 SING N N 55  
A1AZ7 C50 C48 SING N N 56  
A1AZ7 C25 C27 SING N N 57  
A1AZ7 N18 C33 SING N N 58  
A1AZ7 C30 O05 SING N N 59  
A1AZ7 O05 C35 SING N N 60  
A1AZ7 O16 C48 SING N N 61  
A1AZ7 C33 C34 SING N N 62  
A1AZ7 C34 C35 SING N N 63  
A1AZ7 C34 O11 SING N N 64  
A1AZ7 C48 C47 SING N N 65  
A1AZ7 C47 C53 SING N N 66  
A1AZ7 C35 C39 SING N N 67  
A1AZ7 C20 H1  SING N N 68  
A1AZ7 C21 H2  SING N N 69  
A1AZ7 C22 H3  SING N N 70  
A1AZ7 C23 H4  SING N N 71  
A1AZ7 C23 H5  SING N N 72  
A1AZ7 C24 H6  SING N N 73  
A1AZ7 C24 H7  SING N N 74  
A1AZ7 C25 H8  SING N N 75  
A1AZ7 C25 H9  SING N N 76  
A1AZ7 C26 H10 SING N N 77  
A1AZ7 C27 H11 SING N N 78  
A1AZ7 C29 H12 SING N N 79  
A1AZ7 C30 H13 SING N N 80  
A1AZ7 C31 H14 SING N N 81  
A1AZ7 C32 H15 SING N N 82  
A1AZ7 C32 H16 SING N N 83  
A1AZ7 C33 H17 SING N N 84  
A1AZ7 C34 H18 SING N N 85  
A1AZ7 C35 H19 SING N N 86  
A1AZ7 C36 H20 SING N N 87  
A1AZ7 C37 H21 SING N N 88  
A1AZ7 C37 H22 SING N N 89  
A1AZ7 C38 H23 SING N N 90  
A1AZ7 C39 H24 SING N N 91  
A1AZ7 C39 H25 SING N N 92  
A1AZ7 C39 H26 SING N N 93  
A1AZ7 C40 H27 SING N N 94  
A1AZ7 C40 H28 SING N N 95  
A1AZ7 C41 H29 SING N N 96  
A1AZ7 C42 H30 SING N N 97  
A1AZ7 C43 H31 SING N N 98  
A1AZ7 C43 H32 SING N N 99  
A1AZ7 C44 H33 SING N N 100 
A1AZ7 C45 H34 SING N N 101 
A1AZ7 C46 H35 SING N N 102 
A1AZ7 C46 H36 SING N N 103 
A1AZ7 C47 H37 SING N N 104 
A1AZ7 C48 H38 SING N N 105 
A1AZ7 C49 H39 SING N N 106 
A1AZ7 C50 H40 SING N N 107 
A1AZ7 C51 H41 SING N N 108 
A1AZ7 C53 H42 SING N N 109 
A1AZ7 C53 H43 SING N N 110 
A1AZ7 C53 H44 SING N N 111 
A1AZ7 C54 H45 SING N N 112 
A1AZ7 C54 H46 SING N N 113 
A1AZ7 C54 H47 SING N N 114 
A1AZ7 C55 H48 SING N N 115 
A1AZ7 C55 H49 SING N N 116 
A1AZ7 C55 H50 SING N N 117 
A1AZ7 C56 H51 SING N N 118 
A1AZ7 C57 H52 SING N N 119 
A1AZ7 C58 H53 SING N N 120 
A1AZ7 C59 H54 SING N N 121 
A1AZ7 C60 H55 SING N N 122 
A1AZ7 C61 H56 SING N N 123 
A1AZ7 C62 H57 SING N N 124 
A1AZ7 C63 H58 SING N N 125 
A1AZ7 C63 H59 SING N N 126 
A1AZ7 C64 H60 SING N N 127 
A1AZ7 C64 H61 SING N N 128 
A1AZ7 C65 H62 SING N N 129 
A1AZ7 N18 H63 SING N N 130 
A1AZ7 N18 H64 SING N N 131 
A1AZ7 O02 H66 SING N N 132 
A1AZ7 O03 H67 SING N N 133 
A1AZ7 O06 H68 SING N N 134 
A1AZ7 O08 H69 SING N N 135 
A1AZ7 O09 H70 SING N N 136 
A1AZ7 O10 H71 SING N N 137 
A1AZ7 O11 H72 SING N N 138 
A1AZ7 O12 H73 SING N N 139 
A1AZ7 O13 H74 SING N N 140 
A1AZ7 O14 H75 SING N N 141 
A1AZ7 O16 H76 SING N N 142 
# 
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 
A1AZ7 SMILES           ACDLabs              12.01 "O=C(O)C1C(O)CC2(O)CC(O)C(O)CCC(O)CC(O)CC(O)CC(=O)OC(C)C(C)C(O)C(C)C=CC=CCCC=CC=CC=CC=CC(OC3OC(C)C(O)C(N)C3O)CC1O2"                                                                                                                                                                                                                                                                                                             
A1AZ7 InChI            InChI                1.06  "InChI=1S/C47H75NO17/c1-27-17-15-13-11-9-7-5-6-8-10-12-14-16-18-34(64-46-44(58)41(48)43(57)30(4)63-46)24-38-40(45(59)60)37(54)26-47(61,65-38)25-36(53)35(52)20-19-31(49)21-32(50)22-33(51)23-39(55)62-29(3)28(2)42(27)56/h5-6,8,10-18,27-38,40-44,46,49-54,56-58,61H,7,9,19-26,48H2,1-4H3,(H,59,60)/b6-5+,10-8+,13-11+,14-12+,17-15+,18-16+/t27-,28-,29-,30+,31+,32+,33+,34-,35+,36+,37-,38-,40+,41-,42+,43+,44-,46-,47+/m0/s1" 
A1AZ7 InChIKey         InChI                1.06  VQOXZBDYSJBXMA-NQTDYLQESA-N                                                                                                                                                                                                                                                                                                                                                                                                     
A1AZ7 SMILES_CANONICAL CACTVS               3.385 "C[C@@H]1OC(=O)C[C@H](O)C[C@H](O)C[C@H](O)CC[C@@H](O)[C@H](O)C[C@]2(O)C[C@H](O)[C@H]([C@H](C[C@@H](O[C@@H]3O[C@H](C)[C@@H](O)[C@H](N)[C@@H]3O)\C=C\C=C\C=C\C=C\CC\C=C\C=C\[C@H](C)[C@@H](O)[C@H]1C)O2)C(O)=O"                                                                                                                                                                                                                   
A1AZ7 SMILES           CACTVS               3.385 "C[CH]1OC(=O)C[CH](O)C[CH](O)C[CH](O)CC[CH](O)[CH](O)C[C]2(O)C[CH](O)[CH]([CH](C[CH](O[CH]3O[CH](C)[CH](O)[CH](N)[CH]3O)C=CC=CC=CC=CCCC=CC=C[CH](C)[CH](O)[CH]1C)O2)C(O)=O"                                                                                                                                                                                                                                                     
A1AZ7 SMILES_CANONICAL "OpenEye OEToolkits" 2.0.7 "C[C@H]1/C=C/C=C/CC/C=C/C=C/C=C/C=C/[C@@H](C[C@H]2[C@@H]([C@H](C[C@](O2)(C[C@H]([C@@H](CC[C@H](C[C@H](C[C@H](CC(=O)O[C@H]([C@@H]([C@@H]1O)C)C)O)O)O)O)O)O)O)C(=O)O)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)C)O)N)O"                                                                                                                                                                                                                  
A1AZ7 SMILES           "OpenEye OEToolkits" 2.0.7 "CC1C=CC=CCCC=CC=CC=CC=CC(CC2C(C(CC(O2)(CC(C(CCC(CC(CC(CC(=O)OC(C(C1O)C)C)O)O)O)O)O)O)O)C(=O)O)OC3C(C(C(C(O3)C)O)N)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 
A1AZ7 "SYSTEMATIC NAME" ACDLabs              12.01 "(1S,3R,4R,7R,9R,11R,15S,16R,17R,18S,19E,21E,25E,27E,29E,31E,33R,35S,36R,37S)-33-[(3-amino-3,6-dideoxy-beta-D-mannopyranosyl)oxy]-1,3,4,7,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,25,27,29,31-hexaene-36-carboxylic acid"                                                                                                              
A1AZ7 "SYSTEMATIC NAME" "OpenEye OEToolkits" 2.0.7 "(1~{S},3~{R},4~{R},7~{R},9~{R},11~{R},15~{S},16~{R},17~{R},18~{S},19~{E},21~{E},25~{E},27~{E},29~{E},31~{E},33~{R},35~{S},36~{R},37~{S})-33-[(2~{R},3~{S},4~{S},5~{S},6~{R})-4-azanyl-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxy-15,16,18-trimethyl-1,3,4,7,9,11,17,37-octakis(oxidanyl)-13-oxidanylidene-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,25,27,29,31-hexaene-36-carboxylic acid" 
# 
loop_
_pdbx_chem_comp_audit.comp_id 
_pdbx_chem_comp_audit.action_type 
_pdbx_chem_comp_audit.date 
_pdbx_chem_comp_audit.processing_site 
A1AZ7 "Create component" 2024-07-29 RCSB 
A1AZ7 "Initial release"  2025-01-29 RCSB 
# 
_pdbx_chem_comp_synonyms.ordinal      1 
_pdbx_chem_comp_synonyms.comp_id      A1AZ7 
_pdbx_chem_comp_synonyms.name         "(1S,3R,4R,7R,9R,11R,15S,16R,17R,18S,19E,21E,25E,27E,29E,31E,33R,35S,36R,37S)-33-[(3-amino-3,6-dideoxy-beta-D-mannopyranosyl)oxy]-1,3,4,7,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,25,27,29,31-hexaene-36-carboxylic acid" 
_pdbx_chem_comp_synonyms.provenance   PDB 
_pdbx_chem_comp_synonyms.type         ? 
# 
