data_TYK
# 
_chem_comp.id                                    TYK 
_chem_comp.name                                  TYLOSIN 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAD 
_chem_comp.formula                               "C46 H77 N O17" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2001-10-31 
_chem_comp.pdbx_modified_date                    2008-10-14 
_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                        916.100 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     TYK 
_chem_comp.pdbx_model_coordinates_details        ? 
_chem_comp.pdbx_model_coordinates_missing_flag   N 
_chem_comp.pdbx_ideal_coordinates_details        ? 
_chem_comp.pdbx_ideal_coordinates_missing_flag   N 
_chem_comp.pdbx_model_coordinates_db_code        ? 
_chem_comp.pdbx_subcomponent_list                ? 
_chem_comp.pdbx_processing_site                  EBI 
# 
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 
TYK C19  C19  C 0 1 N N N 66.365 129.833 90.479 -0.203  -3.006 1.423  C19  TYK 1   
TYK C20  C20  C 0 1 N N N 67.848 129.550 90.586 0.112   -2.925 2.895  C20  TYK 2   
TYK O20  O20  O 0 1 N N N 68.183 130.632 89.832 1.200   -2.549 3.259  O20  TYK 3   
TYK C1   C1   C 0 1 N N N 68.417 135.824 91.949 2.769   -2.646 -1.687 C1   TYK 4   
TYK C2   C2   C 0 1 N N N 67.967 134.760 92.947 1.535   -3.510 -1.635 C2   TYK 5   
TYK C3   C3   C 0 1 N N R 67.588 133.431 92.419 0.290   -2.628 -1.740 C3   TYK 6   
TYK C4   C4   C 0 1 N N S 66.542 132.802 93.132 -0.877  -3.305 -1.019 C4   TYK 7   
TYK C5   C5   C 0 1 N N S 66.368 131.410 92.519 -1.764  -2.240 -0.371 C5   TYK 8   
TYK C6   C6   C 0 1 N N R 66.042 131.372 90.940 -1.391  -2.095 1.106  C6   TYK 9   
TYK C7   C7   C 0 1 N N N 64.389 131.487 90.974 -1.011  -0.642 1.397  C7   TYK 10  
TYK C8   C8   C 0 1 N N R 63.808 131.793 89.461 -1.231  -0.345 2.881  C8   TYK 11  
TYK C9   C9   C 0 1 N N N 64.612 132.966 88.681 0.096   -0.102 3.551  C9   TYK 12  
TYK C10  C10  C 0 1 N N N 64.597 134.354 89.318 1.295   -0.352 2.856  C10  TYK 13  
TYK C11  C11  C 0 1 N N N 65.380 135.342 89.052 2.488   -0.129 3.464  C11  TYK 14  
TYK C12  C12  C 0 1 N N N 65.436 136.506 89.983 3.736   -0.385 2.750  C12  TYK 15  
TYK C13  C13  C 0 1 N N N 66.327 137.495 89.754 3.711   -0.837 1.493  C13  TYK 16  
TYK C14  C14  C 0 1 N N R 66.731 138.742 90.524 5.004   -1.098 0.764  C14  TYK 17  
TYK C15  C15  C 0 1 N N R 68.045 138.156 91.285 4.703   -1.641 -0.634 C15  TYK 18  
TYK C16  C16  C 0 1 N N N 68.646 139.173 92.406 5.889   -2.472 -1.125 C16  TYK 19  
TYK C17  C17  C 0 1 N N N 69.823 138.889 93.188 5.642   -2.912 -2.569 C17  TYK 20  
TYK C18  C18  C 0 1 N N N 67.037 132.671 94.621 -1.700  -4.111 -2.026 C18  TYK 21  
TYK C21  C21  C 0 1 N N N 62.341 132.111 89.478 -1.924  -1.538 3.542  C21  TYK 22  
TYK C22  C22  C 0 1 N N N 64.451 136.454 91.341 5.058   -0.140 3.433  C22  TYK 23  
TYK C23  C23  C 0 1 N N N 67.299 139.885 89.628 5.793   0.208  0.644  C23  TYK 24  
TYK O1   O1   O 0 1 N N N 69.200 135.552 91.070 3.087   -2.106 -2.720 O1   TYK 25  
TYK O3   O3   O 0 1 N N N 68.860 132.657 92.490 -0.046  -2.439 -3.117 O3   TYK 26  
TYK O9   O9   O 0 1 N N N 65.282 132.660 87.527 0.133   0.310  4.693  O9   TYK 27  
TYK O15  O15  O 0 1 N N N 67.807 137.020 92.213 3.515   -2.475 -0.583 O15  TYK 28  
TYK C1A  C1A  C 0 1 N N R 65.848 129.625 94.202 -3.885  -1.438 -0.716 C1A  TYK 29  
TYK C2A  C2A  C 0 1 N N R 64.645 129.047 95.038 -5.345  -1.803 -0.995 C2A  TYK 30  
TYK C3A  C3A  C 0 1 N N R 65.198 127.993 96.065 -6.135  -0.521 -1.282 C3A  TYK 31  
TYK C4A  C4A  C 0 1 N N S 65.906 126.897 95.260 -5.918  0.457  -0.121 C4A  TYK 32  
TYK C5A  C5A  C 0 1 N N R 67.056 127.618 94.374 -4.415  0.652  0.092  C5A  TYK 33  
TYK C6A  C6A  C 0 1 N N N 67.775 126.732 93.493 -4.189  1.652  1.228  C6A  TYK 34  
TYK C7A  C7A  C 0 1 N N N 63.373 128.339 97.764 -7.738  -1.538 -2.679 C7A  TYK 35  
TYK C8A  C8A  C 0 1 N N N 63.076 126.634 96.212 -7.874  -1.805 -0.341 C8A  TYK 36  
TYK O1A  O1A  O 0 1 N N N 65.442 130.585 93.217 -3.134  -2.630 -0.480 O1A  TYK 37  
TYK O2A  O2A  O 0 1 N N N 63.959 130.127 95.697 -5.413  -2.670 -2.129 O2A  TYK 38  
TYK N3A  N3A  N 0 1 N N N 64.089 127.364 96.954 -7.565  -0.835 -1.401 N3A  TYK 39  
TYK O4A  O4A  O 0 1 N N N 66.416 125.918 96.232 -6.523  1.714  -0.433 O4A  TYK 40  
TYK O5A  O5A  O 0 1 N N N 66.589 128.593 93.530 -3.810  -0.595 0.432  O5A  TYK 41  
TYK C1B  C1B  C 0 1 N N S 66.557 124.567 95.775 -6.960  2.280  0.804  C1B  TYK 42  
TYK C2B  C2B  C 0 1 N N N 68.022 123.995 95.944 -7.310  3.755  0.592  C2B  TYK 43  
TYK C3B  C3B  C 0 1 N N R 68.334 123.855 97.445 -8.410  3.860  -0.470 C3B  TYK 44  
TYK C4B  C4B  C 0 1 N N S 67.206 122.965 98.101 -9.582  2.964  -0.052 C4B  TYK 45  
TYK C5B  C5B  C 0 1 N N S 65.804 123.623 97.920 -9.060  1.549  0.208  C5B  TYK 46  
TYK C6B  C6B  C 0 1 N N N 64.650 122.800 98.530 -10.228 0.639  0.595  C6B  TYK 47  
TYK C7B  C7B  C 0 1 N N N 69.742 123.269 97.591 -8.885  5.310  -0.575 C7B  TYK 48  
TYK O3B  O3B  O 0 1 N N N 68.395 125.164 98.021 -7.900  3.429  -1.733 O3B  TYK 49  
TYK O4B  O4B  O 0 1 N N N 67.455 122.822 99.481 -10.556 2.932  -1.097 O4B  TYK 50  
TYK O5B  O5B  O 0 1 N N N 65.500 123.812 96.512 -8.109  1.574  1.269  O5B  TYK 51  
TYK C1C  C1C  C 0 1 N N R 68.776 140.569 87.701 7.656   1.228  -0.225 C1C  TYK 52  
TYK C2C  C2C  C 0 1 N N R 70.355 140.340 87.581 9.092   1.013  -0.708 C2C  TYK 53  
TYK C3C  C3C  C 0 1 N N R 70.926 141.274 86.427 9.775   2.377  -0.865 C3C  TYK 54  
TYK C4C  C4C  C 0 1 N N R 70.170 141.131 85.183 8.907   3.256  -1.773 C4C  TYK 55  
TYK C5C  C5C  C 0 1 N N R 68.730 141.219 85.369 7.484   3.301  -1.212 C5C  TYK 56  
TYK C6C  C6C  C 0 1 N N N 68.206 140.890 83.948 6.619   4.203  -2.093 C6C  TYK 57  
TYK C7C  C7C  C 0 1 N N N 71.333 139.310 89.424 9.776   -1.121 -0.217 C7C  TYK 58  
TYK C8C  C8C  C 0 1 N N N 71.983 143.551 86.877 11.075  3.830  0.344  C8C  TYK 59  
TYK O1C  O1C  O 0 1 N N N 68.226 139.377 88.634 7.021   -0.040 -0.044 O1C  TYK 60  
TYK O2C  O2C  O 0 1 N N N 71.084 140.497 88.701 9.806   0.229  0.250  O2C  TYK 61  
TYK O3C  O3C  O 0 1 N N N 70.858 142.633 87.020 9.914   2.999  0.413  O3C  TYK 62  
TYK O4C  O4C  O 0 1 N N N 70.808 142.172 84.207 9.446   4.579  -1.817 O4C  TYK 63  
TYK O5C  O5C  O 0 1 N N N 68.349 140.216 86.358 6.931   1.986  -1.192 O5C  TYK 64  
TYK H191 1H19 H 0 0 N N N 65.821 129.141 91.139 -0.453  -4.034 1.161  H191 TYK 65  
TYK H192 2H19 H 0 0 N N N 66.045 129.694 89.436 0.665   -2.685 0.848  H192 TYK 66  
TYK H20  H20  H 0 1 N N N 68.424 128.779 91.076 -0.635  -3.203 3.623  H20  TYK 67  
TYK H21  1H2  H 0 1 N N N 67.042 135.161 93.387 1.552   -4.216 -2.466 H21  TYK 68  
TYK H22  2H2  H 0 1 N N N 68.807 134.598 93.638 1.514   -4.058 -0.693 H22  TYK 69  
TYK H3   H3   H 0 1 N N N 67.175 133.505 91.402 0.490   -1.660 -1.279 H3   TYK 70  
TYK H4   H4   H 0 1 N N N 65.592 133.355 93.091 -0.489  -3.973 -0.249 H4   TYK 71  
TYK H5   H5   H 0 1 N N N 67.378 130.992 92.640 -1.616  -1.287 -0.879 H5   TYK 72  
TYK H6   H6   H 0 1 N N N 66.564 132.110 90.313 -2.242  -2.379 1.725  H6   TYK 73  
TYK H71  1H7  H 0 1 N N N 64.100 132.311 91.643 0.038   -0.483 1.146  H71  TYK 74  
TYK H72  2H7  H 0 1 N N N 63.967 130.539 91.339 -1.632  0.024  0.797  H72  TYK 75  
TYK H8   H8   H 0 1 N N N 63.969 130.859 88.903 -1.857  0.542  2.985  H8   TYK 76  
TYK H10  H10  H 0 1 N N N 63.847 134.526 90.076 1.266   -0.718 1.840  H10  TYK 77  
TYK H11  H11  H 0 1 N N N 65.991 135.327 88.162 2.514   0.240  4.480  H11  TYK 78  
TYK H13  H13  H 0 1 N N N 66.867 137.374 88.827 2.767   -1.016 1.000  H13  TYK 79  
TYK H14  H14  H 0 1 N N N 65.888 139.158 91.095 5.593   -1.828 1.318  H14  TYK 80  
TYK H15  H15  H 0 1 N N N 68.667 137.927 90.407 4.534   -0.810 -1.318 H15  TYK 81  
TYK H161 1H16 H 0 0 N N N 67.857 139.153 93.173 6.003   -3.352 -0.491 H161 TYK 82  
TYK H162 2H16 H 0 0 N N N 68.884 140.095 91.856 6.798   -1.872 -1.078 H162 TYK 83  
TYK H171 1H17 H 0 0 N N N 69.688 137.936 93.721 6.487   -3.504 -2.919 H171 TYK 84  
TYK H172 2H17 H 0 0 N N N 69.983 139.697 93.917 4.733   -3.513 -2.615 H172 TYK 85  
TYK H173 3H17 H 0 0 N N N 70.697 138.817 92.524 5.528   -2.032 -3.202 H173 TYK 86  
TYK H181 1H18 H 0 0 N N N 66.637 131.745 95.060 -1.048  -4.804 -2.557 H181 TYK 87  
TYK H182 2H18 H 0 0 N N N 66.684 133.536 95.202 -2.472  -4.672 -1.498 H182 TYK 88  
TYK H183 3H18 H 0 0 N N N 68.136 132.640 94.641 -2.168  -3.432 -2.739 H183 TYK 89  
TYK H211 1H21 H 0 0 N N N 61.787 131.311 88.966 -1.672  -2.450 3.001  H211 TYK 90  
TYK H212 2H21 H 0 0 N N N 62.167 133.066 88.961 -1.590  -1.625 4.576  H212 TYK 91  
TYK H213 3H21 H 0 0 N N N 61.994 132.189 90.519 -3.003  -1.389 3.520  H213 TYK 92  
TYK H221 1H22 H 0 0 N N N 63.833 135.545 91.311 4.886   0.098  4.482  H221 TYK 93  
TYK H222 2H22 H 0 0 N N N 63.800 137.340 91.356 5.676   -1.035 3.360  H222 TYK 94  
TYK H223 3H22 H 0 0 N N N 65.075 136.443 92.247 5.568   0.693  2.949  H223 TYK 95  
TYK H231 1H23 H 0 0 N N N 67.840 140.592 90.274 5.206   0.937  0.086  H231 TYK 96  
TYK H232 2H23 H 0 0 N N N 66.462 140.378 89.111 6.006   0.597  1.639  H232 TYK 97  
TYK H03  H03  H 0 1 N N N 69.181 132.492 91.611 0.714   -2.011 -3.534 H03  TYK 98  
TYK HC1A HC1A H 0 0 N N N 66.484 130.123 94.949 -3.472  -0.914 -1.578 HC1A TYK 99  
TYK HC2A HC2A H 0 0 N N N 63.922 128.541 94.381 -5.769  -2.306 -0.125 HC2A TYK 100 
TYK HC3A HC3A H 0 0 N N N 65.885 128.504 96.755 -5.781  -0.072 -2.210 HC3A TYK 101 
TYK HC4A HC4A H 0 0 N N N 65.254 126.355 94.559 -6.366  0.052  0.786  HC4A TYK 102 
TYK HC5A HC5A H 0 0 N N N 67.700 128.025 95.168 -3.965  1.035  -0.824 HC5A TYK 103 
TYK H6A1 1H6A H 0 0 N N N 67.179 125.824 93.321 -3.120  1.761  1.409  H6A1 TYK 104 
TYK H6A2 2H6A H 0 0 N N N 68.736 126.459 93.953 -4.611  2.618  0.950  H6A2 TYK 105 
TYK H6A3 3H6A H 0 0 N N N 67.958 127.237 92.533 -4.676  1.290  2.133  H6A3 TYK 106 
TYK H7A1 1H7A H 0 0 N N N 62.411 128.576 97.287 -8.800  -1.622 -2.906 H7A1 TYK 107 
TYK H7A2 2H7A H 0 0 N N N 63.975 129.256 97.851 -7.240  -0.979 -3.471 H7A2 TYK 108 
TYK H7A3 3H7A H 0 0 N N N 63.192 127.922 98.766 -7.301  -2.534 -2.608 H7A3 TYK 109 
TYK H8A1 1H8A H 0 0 N N N 63.491 125.673 95.873 -7.590  -1.388 0.626  H8A1 TYK 110 
TYK H8A2 2H8A H 0 0 N N N 62.763 127.226 95.340 -8.942  -2.020 -0.345 H8A2 TYK 111 
TYK H8A3 3H8A H 0 0 N N N 62.207 126.449 96.861 -7.317  -2.725 -0.517 H8A3 TYK 112 
TYK H02A H02A H 0 0 N N N 63.808 129.899 96.607 -4.905  -3.462 -1.906 H02A TYK 113 
TYK HC1B HC1B H 0 0 N N N 66.415 124.478 94.688 -6.161  2.199  1.541  HC1B TYK 114 
TYK H2B1 1H2B H 0 0 N N N 68.745 124.680 95.476 -7.665  4.183  1.529  H2B1 TYK 115 
TYK H2B2 2H2B H 0 0 N N N 68.093 123.011 95.458 -6.425  4.295  0.255  H2B2 TYK 116 
TYK HC4B HC4B H 0 0 N N N 67.215 121.984 97.604 -10.036 3.358  0.858  HC4B TYK 117 
TYK HC5B HC5B H 0 0 N N N 65.871 124.583 98.453 -8.586  1.166  -0.695 HC5B TYK 118 
TYK H6B1 1H6B H 0 0 N N N 64.557 121.845 97.993 -10.954 0.616  -0.217 H6B1 TYK 119 
TYK H6B2 2H6B H 0 0 N N N 63.710 123.364 98.440 -9.857  -0.369 0.781  H6B2 TYK 120 
TYK H6B3 3H6B H 0 0 N N N 64.860 122.604 99.592 -10.704 1.023  1.498  H6B3 TYK 121 
TYK H7B1 1H7B H 0 0 N N N 69.683 122.299 98.106 -8.047  5.947  -0.858 H7B1 TYK 122 
TYK H7B2 2H7B H 0 0 N N N 70.367 123.959 98.177 -9.668  5.382  -1.331 H7B2 TYK 123 
TYK H7B3 3H7B H 0 0 N N N 70.186 123.129 96.595 -9.279  5.635  0.388  H7B3 TYK 124 
TYK H03B H03B H 0 0 N N N 68.409 125.093 98.968 -7.160  4.012  -1.949 H03B TYK 125 
TYK HO4B HO4B H 0 0 N N N 68.392 122.790 99.632 -11.273 2.359  -0.793 HO4B TYK 126 
TYK HC1C HC1C H 0 0 N N N 68.467 141.558 88.070 7.668   1.766  0.722  HC1C TYK 127 
TYK HC2C HC2C H 0 0 N N N 70.464 139.270 87.351 9.083   0.497  -1.668 HC2C TYK 128 
TYK HC3C HC3C H 0 0 N N N 71.951 141.017 86.122 10.758  2.244  -1.317 HC3C TYK 129 
TYK HC4C HC4C H 0 0 N N N 70.249 140.123 84.750 8.889   2.836  -2.779 HC4C TYK 130 
TYK HC5C HC5C H 0 0 N N N 68.339 142.179 85.736 7.507   3.700  -0.197 HC5C TYK 131 
TYK H6C1 1H6C H 0 0 N N N 68.635 139.934 83.612 5.606   4.241  -1.692 H6C1 TYK 132 
TYK H6C2 2H6C H 0 0 N N N 68.503 141.690 83.254 7.041   5.208  -2.109 H6C2 TYK 133 
TYK H6C3 3H6C H 0 0 N N N 67.109 140.812 83.970 6.593   3.804  -3.107 H6C3 TYK 134 
TYK H7C1 1H7C H 0 0 N N N 70.513 139.136 90.137 10.235  -1.773 0.527  H7C1 TYK 135 
TYK H7C2 2H7C H 0 0 N N N 72.282 139.407 89.972 8.742   -1.426 -0.379 H7C2 TYK 136 
TYK H7C3 3H7C H 0 0 N N N 71.398 138.462 88.726 10.327  -1.194 -1.154 H7C3 TYK 137 
TYK H8C1 1H8C H 0 0 N N N 72.892 143.083 87.284 11.947  3.218  0.114  H8C1 TYK 138 
TYK H8C2 2H8C H 0 0 N N N 71.770 144.480 87.427 10.939  4.578  -0.438 H8C2 TYK 139 
TYK H8C3 3H8C H 0 0 N N N 72.135 143.782 85.812 11.223  4.328  1.302  H8C3 TYK 140 
TYK H04C H04C H 0 0 N N N 70.937 142.996 84.662 8.866   5.098  -2.392 H04C TYK 141 
# 
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 
TYK C19 C20  SING N N 1   
TYK C19 C6   SING N N 2   
TYK C19 H191 SING N N 3   
TYK C19 H192 SING N N 4   
TYK C20 O20  DOUB N N 5   
TYK C20 H20  SING N N 6   
TYK C1  C2   SING N N 7   
TYK C1  O1   DOUB N N 8   
TYK C1  O15  SING N N 9   
TYK C2  C3   SING N N 10  
TYK C2  H21  SING N N 11  
TYK C2  H22  SING N N 12  
TYK C3  C4   SING N N 13  
TYK C3  O3   SING N N 14  
TYK C3  H3   SING N N 15  
TYK C4  C5   SING N N 16  
TYK C4  C18  SING N N 17  
TYK C4  H4   SING N N 18  
TYK C5  C6   SING N N 19  
TYK C5  O1A  SING N N 20  
TYK C5  H5   SING N N 21  
TYK C6  C7   SING N N 22  
TYK C6  H6   SING N N 23  
TYK C7  C8   SING N N 24  
TYK C7  H71  SING N N 25  
TYK C7  H72  SING N N 26  
TYK C8  C9   SING N N 27  
TYK C8  C21  SING N N 28  
TYK C8  H8   SING N N 29  
TYK C9  C10  SING N N 30  
TYK C9  O9   DOUB N N 31  
TYK C10 C11  DOUB N E 32  
TYK C10 H10  SING N N 33  
TYK C11 C12  SING N N 34  
TYK C11 H11  SING N N 35  
TYK C12 C13  DOUB N E 36  
TYK C12 C22  SING N N 37  
TYK C13 C14  SING N N 38  
TYK C13 H13  SING N N 39  
TYK C14 C15  SING N N 40  
TYK C14 C23  SING N N 41  
TYK C14 H14  SING N N 42  
TYK C15 C16  SING N N 43  
TYK C15 O15  SING N N 44  
TYK C15 H15  SING N N 45  
TYK C16 C17  SING N N 46  
TYK C16 H161 SING N N 47  
TYK C16 H162 SING N N 48  
TYK C17 H171 SING N N 49  
TYK C17 H172 SING N N 50  
TYK C17 H173 SING N N 51  
TYK C18 H181 SING N N 52  
TYK C18 H182 SING N N 53  
TYK C18 H183 SING N N 54  
TYK C21 H211 SING N N 55  
TYK C21 H212 SING N N 56  
TYK C21 H213 SING N N 57  
TYK C22 H221 SING N N 58  
TYK C22 H222 SING N N 59  
TYK C22 H223 SING N N 60  
TYK C23 O1C  SING N N 61  
TYK C23 H231 SING N N 62  
TYK C23 H232 SING N N 63  
TYK O3  H03  SING N N 64  
TYK C1A C2A  SING N N 65  
TYK C1A O1A  SING N N 66  
TYK C1A O5A  SING N N 67  
TYK C1A HC1A SING N N 68  
TYK C2A C3A  SING N N 69  
TYK C2A O2A  SING N N 70  
TYK C2A HC2A SING N N 71  
TYK C3A C4A  SING N N 72  
TYK C3A N3A  SING N N 73  
TYK C3A HC3A SING N N 74  
TYK C4A C5A  SING N N 75  
TYK C4A O4A  SING N N 76  
TYK C4A HC4A SING N N 77  
TYK C5A C6A  SING N N 78  
TYK C5A O5A  SING N N 79  
TYK C5A HC5A SING N N 80  
TYK C6A H6A1 SING N N 81  
TYK C6A H6A2 SING N N 82  
TYK C6A H6A3 SING N N 83  
TYK C7A N3A  SING N N 84  
TYK C7A H7A1 SING N N 85  
TYK C7A H7A2 SING N N 86  
TYK C7A H7A3 SING N N 87  
TYK C8A N3A  SING N N 88  
TYK C8A H8A1 SING N N 89  
TYK C8A H8A2 SING N N 90  
TYK C8A H8A3 SING N N 91  
TYK O2A H02A SING N N 92  
TYK O4A C1B  SING N N 93  
TYK C1B C2B  SING N N 94  
TYK C1B O5B  SING N N 95  
TYK C1B HC1B SING N N 96  
TYK C2B C3B  SING N N 97  
TYK C2B H2B1 SING N N 98  
TYK C2B H2B2 SING N N 99  
TYK C3B C4B  SING N N 100 
TYK C3B C7B  SING N N 101 
TYK C3B O3B  SING N N 102 
TYK C4B C5B  SING N N 103 
TYK C4B O4B  SING N N 104 
TYK C4B HC4B SING N N 105 
TYK C5B C6B  SING N N 106 
TYK C5B O5B  SING N N 107 
TYK C5B HC5B SING N N 108 
TYK C6B H6B1 SING N N 109 
TYK C6B H6B2 SING N N 110 
TYK C6B H6B3 SING N N 111 
TYK C7B H7B1 SING N N 112 
TYK C7B H7B2 SING N N 113 
TYK C7B H7B3 SING N N 114 
TYK O3B H03B SING N N 115 
TYK O4B HO4B SING N N 116 
TYK C1C C2C  SING N N 117 
TYK C1C O1C  SING N N 118 
TYK C1C O5C  SING N N 119 
TYK C1C HC1C SING N N 120 
TYK C2C C3C  SING N N 121 
TYK C2C O2C  SING N N 122 
TYK C2C HC2C SING N N 123 
TYK C3C C4C  SING N N 124 
TYK C3C O3C  SING N N 125 
TYK C3C HC3C SING N N 126 
TYK C4C C5C  SING N N 127 
TYK C4C O4C  SING N N 128 
TYK C4C HC4C SING N N 129 
TYK C5C C6C  SING N N 130 
TYK C5C O5C  SING N N 131 
TYK C5C HC5C SING N N 132 
TYK C6C H6C1 SING N N 133 
TYK C6C H6C2 SING N N 134 
TYK C6C H6C3 SING N N 135 
TYK C7C O2C  SING N N 136 
TYK C7C H7C1 SING N N 137 
TYK C7C H7C2 SING N N 138 
TYK C7C H7C3 SING N N 139 
TYK C8C O3C  SING N N 140 
TYK C8C H8C1 SING N N 141 
TYK C8C H8C2 SING N N 142 
TYK C8C H8C3 SING N N 143 
TYK O4C H04C SING N N 144 
# 
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 
TYK SMILES           ACDLabs              10.04 O=C4C=CC(=CC(COC1OC(C(O)C(OC)C1OC)C)C(OC(=O)CC(O)C(C)C(OC3OC(C)C(OC2OC(C)C(O)C(O)(C)C2)C(N(C)C)C3O)C(CC=O)CC4C)CC)C 
TYK InChI            InChI                1.02b 
;InChI=1/C46H77NO17/c1-13-33-30(22-58-45-42(57-12)41(56-11)37(52)26(5)60-45)18-23(2)14-15-31(49)24(3)19-29(16-17-48)39(25(4)32(50)20-34(51)62-33)64-44-38(53)36(47(9)10)40(27(6)61-44)63-35-21-46(8,55)43(54)28(7)59-35/h14-15,17-18,24-30,32-33,35-45,50,52-55H,13,16,19-22H2,1-12H3/b15-14+,23-18+/t24-,25+,26-,27-,28+,29+,30-,32-,33-,35+,36-,37-,38-,39-,40-,41-,42-,43+,44+,45-,46-/m1/s1
;
TYK InChIKey         InChI                1.02b WBPYTXDJUQJLPQ-VMXQISHHBH 
TYK SMILES_CANONICAL CACTVS               3.341 
CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]3C[C@@](C)(O)[C@@H](O)[C@H](C)O3)[C@@H]([C@H]2O)N(C)C)[C@@H](CC=O)C[C@@H](C)C(=O)\C=C\C(=C\[C@@H]1CO[C@@H]4O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]4OC)C 
TYK SMILES           CACTVS               3.341 CC[CH]1OC(=O)C[CH](O)[CH](C)[CH](O[CH]2O[CH](C)[CH](O[CH]3C[C](C)(O)[CH](O)[CH](C)O3)[CH]([CH]2O)N(C)C)[CH](CC=O)C[CH](C)C(=O)C=CC(=C[CH]1CO[CH]4O[CH](C)[CH](O)[CH](OC)[CH]4OC)C 
TYK SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 
CC[C@@H]1[C@H](\C=C(\C=C\C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)O)N(C)C)O)CC=O)C)/C)CO[C@H]4[C@@H]([C@@H]([C@@H]([C@H](O4)C)O)OC)OC 
TYK SMILES           "OpenEye OEToolkits" 1.5.0 CCC1C(C=C(C=CC(=O)C(CC(C(C(C(CC(=O)O1)O)C)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)O)(C)O)N(C)C)O)CC=O)C)C)COC4C(C(C(C(O4)C)O)OC)OC 
# 
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 
TYK "SYSTEMATIC NAME" ACDLabs              10.04 
;[(2R,3R,4E,6E,9R,11R,12S,13S,14R)-12-{[3,6-dideoxy-4-O-(2,6-dideoxy-3-C-methyl-alpha-L-ribo-hexopyranosyl)-3-(dimethylamino)-beta-D-glucopyranosyl]oxy}-2-ethyl-14-hydroxy-5,9,13-trimethyl-8,16-dioxo-11-(2-oxoethyl)oxacyclohexadeca-4,6-dien-3-yl]methyl 6-deoxy-2,3-di-O-methyl-beta-D-allopyranoside
;
TYK "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 
;2-[(4R,5S,6S,7R,9R,11E,13E,15R,16R)-6-[(2R,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyl-oxan-2-yl]oxy-4-dimethylamino-3-hydroxy-6-methyl-oxan-2-yl]oxy-16-ethyl-4-hydroxy-15-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyl-oxan-2-yl]oxymethyl]-5,9,13-trimethyl-2,10-dioxo-1-oxacyclohexadeca-11,13-dien-7-yl]ethanal
;
# 
