data_TM6
#

_chem_comp.id                                   TM6
_chem_comp.name                                 THIO-MALTOHEXAOSE
_chem_comp.type                                 saccharide
_chem_comp.pdbx_type                            ATOMS
_chem_comp.formula                              "C36 H62 O28 S3"
_chem_comp.mon_nstd_parent_comp_id              ?
_chem_comp.pdbx_synonyms                        ?
_chem_comp.pdbx_formal_charge                   0
_chem_comp.pdbx_initial_date                    1999-07-08
_chem_comp.pdbx_modified_date                   2020-07-17
_chem_comp.pdbx_ambiguous_flag                  N
_chem_comp.pdbx_release_status                  OBS
_chem_comp.pdbx_replaced_by                     ?
_chem_comp.pdbx_replaces                        ?
_chem_comp.formula_weight                       1039.056
_chem_comp.one_letter_code                      ?
_chem_comp.three_letter_code                    TM6
_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       8CGT
_chem_comp.pdbx_subcomponent_list               "4SG GLC 4SG GLC 4SG GLC"
_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
_chem_comp_atom.pdbx_residue_numbering
_chem_comp_atom.pdbx_polymer_type
_chem_comp_atom.pdbx_component_id
TM6  C12   C12   C  0  1  N  N  S  59.701  16.652   2.711  -0.404  -3.120  -11.150  C1   4SG    1  1  polymer  1  
TM6  O41   O41   O  0  1  N  Y  N  59.205  15.356   2.903  -0.074  -2.310  -12.280  O1   4SG    2  1  polymer  1  
TM6  C22   C22   C  0  1  N  N  R  61.185  16.695   3.049  -1.632  -2.536  -10.448  C2   4SG    3  1  polymer  1  
TM6  O22   O22   O  0  1  N  N  N  61.873  15.711   2.290  -2.742  -2.537  -11.347  O2   4SG    4  1  polymer  1  
TM6  C32   C32   C  0  1  N  N  R  61.395  16.429   4.537  -1.323  -1.100  -10.011  C3   4SG    5  1  polymer  1  
TM6  O32   O32   O  0  1  N  N  N  62.757  16.655   4.870  -2.405  -0.594   -9.226  O3   4SG    6  1  polymer  1  
TM6  C42   C42   C  0  1  N  N  S  60.506  17.322   5.414  -0.035  -1.106   -9.180  C4   4SG    7  1  polymer  1  
TM6  S13   S13   S  0  1  N  N  N  60.391  16.443   7.009   0.457   0.600   -8.812  S4   4SG    8  1  polymer  1  
TM6  C52   C52   C  0  1  N  N  R  59.060  17.355   4.909   1.071  -1.798   -9.978  C5   4SG    9  1  polymer  1  
TM6  O52   O52   O  0  1  N  N  N  59.013  17.613   3.496   0.700  -3.148  -10.248  O5   4SG   10  1  polymer  1  
TM6  C62   C62   C  0  1  N  N  N  58.247  18.438   5.579   2.369  -1.781   -9.168  C6   4SG   11  1  polymer  1  
TM6  O62   O62   O  0  1  N  N  N  58.349  18.351   6.993   3.404  -2.427   -9.912  O6   4SG   12  1  polymer  1  
TM6  C13   C13   C  0  1  N  N  R  61.363  17.468   8.136  -0.759   1.010   -7.531  C1   GLC   13  2  polymer  1  
TM6  C23   C23   C  0  1  N  N  R  62.428  16.657   8.865  -0.575   2.469   -7.106  C2   GLC   14  2  polymer  1  
TM6  C33   C33   C  0  1  N  N  R  61.754  15.679   9.827  -1.629   2.818   -6.046  C3   GLC   15  2  polymer  1  
TM6  C43   C43   C  0  1  N  N  S  60.848  16.441  10.795  -1.540   1.789   -4.912  C4   GLC   16  2  polymer  1  
TM6  C53   C53   C  0  1  N  N  R  59.858  17.309  10.009  -1.651   0.382   -5.504  C5   GLC   17  2  polymer  1  
TM6  C63   C63   C  0  1  N  N  N  59.070  18.176  10.980  -2.978   0.249   -6.254  C6   GLC   18  2  polymer  1  
TM6  O23   O23   O  0  1  N  N  N  63.207  15.937   7.921   0.732   2.646   -6.558  O2   GLC   19  2  polymer  1  
TM6  O33   O33   O  0  1  N  N  N  62.743  14.968  10.556  -2.931   2.779   -6.633  O3   GLC   20  2  polymer  1  
TM6  O43   O43   O  0  1  N  N  N  60.133  15.509  11.640  -0.288   1.928   -4.238  O4   GLC   21  2  polymer  1  
TM6  O53   O53   O  0  1  N  N  N  60.569  18.161   9.084  -0.572   0.152   -6.407  O5   GLC   22  2  polymer  1  
TM6  O63   O63   O  0  1  N  N  N  59.892  19.241  11.438  -4.059   0.527   -5.362  O6   GLC   23  2  polymer  1  
TM6  C14   C14   C  0  1  N  N  S  60.110  15.825  13.009  -0.491   2.865   -3.179  C1   4SG   24  3  polymer  1  
TM6  C24   C24   C  0  1  N  N  R  61.444  15.471  13.669   0.822   3.064   -2.419  C2   4SG   25  3  polymer  1  
TM6  O24   O24   O  0  1  N  N  N  62.511  16.051  12.941   1.813   3.587   -3.305  O2   4SG   26  3  polymer  1  
TM6  C34   C34   C  0  1  N  N  R  61.640  13.968  13.711   1.289   1.713   -1.863  C3   4SG   27  3  polymer  1  
TM6  O34   O34   O  0  1  N  N  N  62.796  13.650  14.471   2.432   1.907   -1.029  O3   4SG   28  3  polymer  1  
TM6  C44   C44   C  0  1  N  N  S  60.436  13.240  14.302   0.147   1.097   -1.047  C4   4SG   29  3  polymer  1  
TM6  S15   S15   S  0  1  N  N  N  60.767  11.583  13.659   0.601  -0.583   -0.539  S4   4SG   30  3  polymer  1  
TM6  C54   C54   C  0  1  N  N  R  59.138  13.727  13.654  -1.115   1.048   -1.911  C5   4SG   31  3  polymer  1  
TM6  O54   O54   O  0  1  N  N  N  59.059  15.165  13.697  -1.492   2.369   -2.292  O5   4SG   32  3  polymer  1  
TM6  C64   C64   C  0  1  N  N  N  57.899  13.188  14.345  -2.252   0.406   -1.113  C6   4SG   33  3  polymer  1  
TM6  O64   O64   O  0  1  N  N  N  58.214  12.604  15.603  -3.431   0.359   -1.919  O6   4SG   34  3  polymer  1  
TM6  C15   C15   C  0  1  N  N  R  59.947  10.449  14.805   1.781  -0.204    0.785  C1   GLC   35  4  polymer  1  
TM6  C25   C25   C  0  1  N  N  R  60.619   9.081  14.778   2.373  -1.507    1.325  C2   GLC   36  4  polymer  1  
TM6  C35   C35   C  0  1  N  N  R  60.329   8.400  13.440   3.394  -1.177    2.422  C3   GLC   37  4  polymer  1  
TM6  C45   C45   C  0  1  N  N  S  58.819   8.298  13.269   2.716  -0.283    3.467  C4   GLC   38  4  polymer  1  
TM6  C55   C55   C  0  1  N  N  R  58.226   9.698  13.306   2.098   0.927    2.764  C5   GLC   39  4  polymer  1  
TM6  C65   C65   C  0  1  N  N  N  56.713   9.670  13.106   3.191   1.697    2.022  C6   GLC   40  4  polymer  1  
TM6  O25   O25   O  0  1  N  N  N  62.019   9.252  14.932   1.329  -2.317    1.870  O2   GLC   41  4  polymer  1  
TM6  O35   O35   O  0  1  N  N  N  60.913   7.107  13.422   4.508  -0.489    1.849  O3   GLC   42  4  polymer  1  
TM6  O45   O45   O  0  1  N  N  N  58.482   7.631  12.036   1.692  -1.022    4.136  O4   GLC   43  4  polymer  1  
TM6  O55   O55   O  0  1  N  N  N  58.549  10.308  14.570   1.109   0.492    1.832  O5   GLC   44  4  polymer  1  
TM6  O65   O65   O  0  1  N  N  N  56.105   8.915  14.140   4.205   2.096    2.946  O6   GLC   45  4  polymer  1  
TM6  C16   C16   C  0  1  N  N  S  57.607   6.553  12.232   2.302  -1.641    5.270  C1   4SG   46  5  polymer  1  
TM6  C26   C26   C  0  1  N  N  R  57.846   5.467  11.197   1.253  -2.458    6.028  C2   4SG   47  5  polymer  1  
TM6  O26   O26   O  0  1  N  N  N  59.232   5.179  11.135   0.737  -3.481    5.175  O2   4SG   48  5  polymer  1  
TM6  C36   C36   C  0  1  N  N  R  57.360   5.912   9.828   0.115  -1.529    6.466  C3   4SG   49  5  polymer  1  
TM6  O36   O36   O  0  1  N  N  N  57.454   4.824   8.923  -0.795  -2.248    7.300  O3   4SG   50  5  polymer  1  
TM6  C46   C46   C  0  1  N  N  S  55.915   6.405   9.889   0.715  -0.351    7.243  C4   4SG   51  5  polymer  1  
TM6  S17   S17   S  0  1  N  N  N  55.646   7.300   8.341  -0.584   0.859    7.607  S4   4SG   52  5  polymer  1  
TM6  C56   C56   C  0  1  N  N  R  55.768   7.460  10.986   1.804   0.305    6.393  C5   4SG   53  5  polymer  1  
TM6  O56   O56   O  0  1  N  N  N  56.240   6.939  12.239   2.842  -0.635    6.125  O5   4SG   54  5  polymer  1  
TM6  C66   C66   C  0  1  N  N  N  54.326   7.902  11.189   2.386   1.501    7.149  C6   4SG   55  5  polymer  1  
TM6  O66   O66   O  0  1  N  N  N  54.032   8.132  12.562   3.404   2.116    6.356  O6   4SG   56  5  polymer  1  
TM6  C17   C17   C  0  1  N  N  R  54.277   6.396   7.541  -1.455  -0.003    8.944  C1   GLC   57  6  polymer  1  
TM6  C27   C27   C  0  1  N  N  R  54.785   5.447   6.459  -2.673   0.818    9.370  C2   GLC   58  6  polymer  1  
TM6  C37   C37   C  0  1  N  N  S  55.483   6.270   5.375  -3.421   0.065   10.477  C3   GLC   59  6  polymer  1  
TM6  C47   C47   C  0  1  N  N  S  54.540   7.349   4.833  -2.432  -0.264   11.598  C4   GLC   60  6  polymer  1  
TM6  C57   C57   C  0  1  N  N  R  53.943   8.166   5.981  -1.231  -1.005   11.005  C5   GLC   61  6  polymer  1  
TM6  C67   C67   C  0  1  N  N  N  52.909   9.163   5.464  -1.713  -2.283   10.315  C6   GLC   62  6  polymer  1  
TM6  O27   O27   O  0  1  N  N  N  55.694   4.511   7.018  -2.244   2.090    9.860  O2   GLC   63  6  polymer  1  
TM6  O37   O37   O  0  1  N  N  N  55.898   5.419   4.314  -3.972  -1.141    9.947  O3   GLC   64  6  polymer  1  
TM6  O47   O47   O  0  1  N  N  N  55.257   8.214   3.960  -1.991   0.945   12.218  O4   GLC   65  6  polymer  1  
TM6  O57   O57   O  0  1  N  N  N  53.341   7.278   6.946  -0.573  -0.171   10.053  O5   GLC   66  6  polymer  1  
TM6  O67   O67   O  0  1  N  N  N  51.623   8.560   5.444  -2.416  -3.096   11.256  O6   GLC   67  6  polymer  1  
TM6  H12   H12   H  0  1  N  N  N  59.541  16.910   1.638  -0.625  -4.134  -11.484  H1   4SG   68  1  polymer  1  
TM6  HO41  HO41  H  0  0  N  N  N  58.279  15.329   2.692   0.699  -2.713  -12.697  HO1  4SG   69  1  polymer  1  
TM6  H22   H22   H  0  1  N  N  N  61.583  17.706   2.801  -1.872  -3.139   -9.572  H2   4SG   70  1  polymer  1  
TM6  HO22  HO22  H  0  0  N  N  N  62.798  15.737   2.500  -2.897  -3.457  -11.600  HO2  4SG   71  1  polymer  1  
TM6  H32   H32   H  0  1  N  N  N  61.114  15.368   4.733  -1.186  -0.471  -10.891  H3   4SG   72  1  polymer  1  
TM6  HO32  HO32  H  0  0  N  N  N  62.887  16.489   5.796  -3.193  -0.620   -9.786  HO3  4SG   73  1  polymer  1  
TM6  H42   H42   H  0  1  N  N  N  60.929  18.353   5.440  -0.205  -1.645   -8.248  H4   4SG   74  1  polymer  1  
TM6  H52   H52   H  0  1  N  N  N  58.632  16.353   5.149   1.224  -1.269  -10.919  H5   4SG   75  1  polymer  1  
TM6  H621  1H62  H  0  0  N  N  N  58.527  19.451   5.208   2.657  -0.749   -8.965  H61  4SG   76  1  polymer  1  
TM6  H622  2H62  H  0  0  N  N  N  57.184  18.422   5.241   2.216  -2.307   -8.226  H62  4SG   77  1  polymer  1  
TM6  HO62  HO62  H  0  0  N  N  N  57.837  19.032   7.414   4.202  -2.394   -9.368  HO6  4SG   78  1  polymer  1  
TM6  H13   H13   H  0  1  N  N  N  61.858  18.226   7.486  -1.764   0.873   -7.929  H1   GLC   79  2  polymer  1  
TM6  H23   H23   H  0  1  N  N  N  63.089  17.345   9.440  -0.699   3.120   -7.971  H2   GLC   80  2  polymer  1  
TM6  H33   H33   H  0  1  N  N  N  61.137  14.957   9.241  -1.435   3.816   -5.652  H3   GLC   81  2  polymer  1  
TM6  H43   H43   H  0  1  N  N  N  61.475  17.101  11.438  -2.355   1.953   -4.207  H4   GLC   82  2  polymer  1  
TM6  H53   H53   H  0  1  N  N  N  59.165  16.646   9.439  -1.613  -0.352   -4.700  H5   GLC   83  2  polymer  1  
TM6  H631  1H63  H  0  0  N  N  N  58.113  18.541  10.538  -2.999   0.956   -7.083  H61  GLC   84  2  polymer  1  
TM6  H632  2H63  H  0  0  N  N  N  58.640  17.583  11.821  -3.077  -0.765   -6.639  H62  GLC   85  2  polymer  1  
TM6  HO23  HO23  H  0  0  N  N  N  63.870  15.431   8.375   1.361   2.410   -7.254  HO2  GLC   86  2  polymer  1  
TM6  HO33  HO33  H  0  0  N  N  N  62.324  14.360  11.153  -2.935   3.430   -7.347  HO3  GLC   87  2  polymer  1  
TM6  HO63  HO63  H  0  0  N  N  N  59.400  19.782  12.044  -4.874   0.432   -5.873  HO6  GLC   88  2  polymer  1  
TM6  H14   H14   H  0  1  N  N  N  59.933  16.923  13.078  -0.816   3.818   -3.596  H1   4SG   89  3  polymer  1  
TM6  H24   H24   H  0  1  N  N  N  61.431  15.868  14.710   0.665   3.760   -1.595  H2   4SG   90  3  polymer  1  
TM6  HO24  HO24  H  0  0  N  N  N  63.339  15.831  13.350   1.476   4.431   -3.634  HO2  4SG   91  3  polymer  1  
TM6  H34   H34   H  0  1  N  N  N  61.762  13.626  12.656   1.546   1.048   -2.688  H3   4SG   92  3  polymer  1  
TM6  HO34  HO34  H  0  0  N  N  N  62.918  12.708  14.497   3.118   2.305   -1.582  HO3  4SG   93  3  polymer  1  
TM6  H44   H44   H  0  1  N  N  N  60.318  13.354  15.404  -0.039   1.707   -0.163  H4   4SG   94  3  polymer  1  
TM6  H54   H54   H  0  1  N  N  N  59.164  13.351  12.604  -0.919   0.455   -2.804  H5   4SG   95  3  polymer  1  
TM6  H641  1H64  H  0  0  N  N  N  57.114  13.973  14.445  -1.968  -0.605   -0.826  H61  4SG   96  3  polymer  1  
TM6  H642  2H64  H  0  0  N  N  N  57.346  12.473  13.691  -2.446   0.997   -0.218  H62  4SG   97  3  polymer  1  
TM6  HO64  HO64  H  0  0  N  N  N  57.438  12.266  16.035  -4.122  -0.050   -1.380  HO6  4SG   98  3  polymer  1  
TM6  H15   H15   H  0  1  N  N  N  60.054  10.906  15.816   2.581   0.420    0.389  H1   GLC   99  4  polymer  1  
TM6  H25   H25   H  0  1  N  N  N  60.224   8.447  15.606   2.868  -2.046    0.517  H2   GLC  100  4  polymer  1  
TM6  H35   H35   H  0  1  N  N  N  60.764   8.994  12.603   3.736  -2.098    2.893  H3   GLC  101  4  polymer  1  
TM6  H45   H45   H  0  1  N  N  N  58.393   7.690  14.101   3.455   0.054    4.193  H4   GLC  102  4  polymer  1  
TM6  H55   H55   H  0  1  N  N  N  58.662  10.294  12.470   1.635   1.579    3.505  H5   GLC  103  4  polymer  1  
TM6  H651  1H65  H  0  0  N  N  N  56.281  10.695  13.026   3.630   1.057    1.255  H61  GLC  104  4  polymer  1  
TM6  H652  2H65  H  0  0  N  N  N  56.431   9.297  12.093   2.759   2.581    1.553  H62  GLC  105  4  polymer  1  
TM6  HO25  HO25  H  0  0  N  N  N  62.437   8.399  14.915   0.709  -2.495    1.150  HO2  GLC  106  4  polymer  1  
TM6  HO35  HO35  H  0  0  N  N  N  60.732   6.683  12.590   4.894  -1.083    1.190  HO3  GLC  107  4  polymer  1  
TM6  HO65  HO65  H  0  0  N  N  N  55.163   8.897  14.015   4.873   2.576    2.439  HO6  GLC  108  4  polymer  1  
TM6  H16   H16   H  0  1  N  N  N  57.831   6.148  13.246   3.103  -2.300    4.936  H1   4SG  109  5  polymer  1  
TM6  H26   H26   H  0  1  N  N  N  57.278   4.555  11.495   1.711  -2.912    6.907  H2   4SG  110  5  polymer  1  
TM6  HO26  HO26  H  0  0  N  N  N  59.381   4.499  10.487   1.486  -4.037    4.921  HO2  4SG  111  5  polymer  1  
TM6  H36   H36   H  0  1  N  N  N  58.000   6.756   9.481  -0.410  -1.155    5.588  H3   4SG  112  5  polymer  1  
TM6  HO36  HO36  H  0  0  N  N  N  57.150   5.102   8.067  -1.137  -2.983    6.773  HO3  4SG  113  5  polymer  1  
TM6  H46   H46   H  0  1  N  N  N  55.220   5.550  10.065   1.148  -0.713    8.176  H4   4SG  114  5  polymer  1  
TM6  H56   H56   H  0  1  N  N  N  56.370   8.337  10.654   1.373   0.647    5.452  H5   4SG  115  5  polymer  1  
TM6  H661  1H66  H  0  0  N  N  N  54.083   8.795  10.566   1.596   2.224    7.350  H61  4SG  116  5  polymer  1  
TM6  H662  2H66  H  0  0  N  N  N  53.611   7.175  10.737   2.816   1.161    8.091  H62  4SG  117  5  polymer  1  
TM6  HO66  HO66  H  0  0  N  N  N  53.131   8.407  12.688   3.744   2.863    6.868  HO6  4SG  118  5  polymer  1  
TM6  H17   H17   H  0  1  N  N  N  53.780   5.813   8.352  -1.783  -0.981    8.591  H1   GLC  119  6  polymer  1  
TM6  H27   H27   H  0  1  N  N  N  53.928   4.886   6.017  -3.334   0.960    8.515  H2   GLC  120  6  polymer  1  
TM6  H37   H37   H  0  1  N  N  N  56.376   6.764   5.822  -4.222   0.692   10.868  H3   GLC  121  6  polymer  1  
TM6  H47   H47   H  0  1  N  N  N  53.711   6.852   4.276  -2.919  -0.897   12.340  H4   GLC  122  6  polymer  1  
TM6  H57   H57   H  0  1  N  N  N  54.762   8.743   6.469  -0.535  -1.264   11.802  H5   GLC  123  6  polymer  1  
TM6  H671  1H67  H  0  0  N  N  N  52.916  10.113   6.046  -0.854  -2.833    9.929  H61  GLC  124  6  polymer  1  
TM6  H672  2H67  H  0  0  N  N  N  53.191   9.580   4.469  -2.378  -2.023    9.492  H62  GLC  125  6  polymer  1  
TM6  HO27  HO27  H  0  0  N  N  N  56.010   3.920   6.344  -1.774   2.524    9.136  HO2  GLC  126  6  polymer  1  
TM6  HO37  HO37  H  0  0  N  N  N  56.331   5.930   3.640  -4.577  -0.885    9.238  HO3  GLC  127  6  polymer  1  
TM6  HO47  HO47  H  0  0  N  N  N  54.672   8.883   3.623  -2.778   1.380   12.573  HO4  GLC  128  6  polymer  1  
TM6  HO67  HO67  H  0  0  N  N  N  50.979   9.180   5.122  -2.701  -3.889   10.782  HO6  GLC  129  6  polymer  1  
#   #
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
TM6  O41  C12   SING  N  N    1  
TM6  O41  HO41  SING  N  N    2  
TM6  C12  C22   SING  N  N    3  
TM6  C12  O52   SING  N  N    4  
TM6  C12  H12   SING  N  N    5  
TM6  C22  O22   SING  N  N    6  
TM6  C22  C32   SING  N  N    7  
TM6  C22  H22   SING  N  N    8  
TM6  O22  HO22  SING  N  N    9  
TM6  C32  O32   SING  N  N   10  
TM6  C32  C42   SING  N  N   11  
TM6  C32  H32   SING  N  N   12  
TM6  O32  HO32  SING  N  N   13  
TM6  C42  C52   SING  N  N   14  
TM6  C42  S13   SING  N  N   15  
TM6  C42  H42   SING  N  N   16  
TM6  C52  O52   SING  N  N   17  
TM6  C52  C62   SING  N  N   18  
TM6  C52  H52   SING  N  N   19  
TM6  C62  O62   SING  N  N   20  
TM6  C62  H621  SING  N  N   21  
TM6  C62  H622  SING  N  N   22  
TM6  O62  HO62  SING  N  N   23  
TM6  C13  S13   SING  N  N   24  
TM6  C13  C23   SING  N  N   25  
TM6  C13  O53   SING  N  N   26  
TM6  C13  H13   SING  N  N   27  
TM6  C23  O23   SING  N  N   28  
TM6  C23  C33   SING  N  N   29  
TM6  C23  H23   SING  N  N   30  
TM6  O23  HO23  SING  N  N   31  
TM6  C33  O33   SING  N  N   32  
TM6  C33  C43   SING  N  N   33  
TM6  C33  H33   SING  N  N   34  
TM6  O33  HO33  SING  N  N   35  
TM6  C43  O43   SING  N  N   36  
TM6  C43  C53   SING  N  N   37  
TM6  C43  H43   SING  N  N   38  
TM6  O43  C14   SING  N  N   39  
TM6  C53  O53   SING  N  N   40  
TM6  C53  C63   SING  N  N   41  
TM6  C53  H53   SING  N  N   42  
TM6  C63  O63   SING  N  N   43  
TM6  C63  H631  SING  N  N   44  
TM6  C63  H632  SING  N  N   45  
TM6  O63  HO63  SING  N  N   46  
TM6  C14  C24   SING  N  N   47  
TM6  C14  O54   SING  N  N   48  
TM6  C14  H14   SING  N  N   49  
TM6  C24  O24   SING  N  N   50  
TM6  C24  C34   SING  N  N   51  
TM6  C24  H24   SING  N  N   52  
TM6  O24  HO24  SING  N  N   53  
TM6  C34  O34   SING  N  N   54  
TM6  C34  C44   SING  N  N   55  
TM6  C34  H34   SING  N  N   56  
TM6  O34  HO34  SING  N  N   57  
TM6  C44  C54   SING  N  N   58  
TM6  C44  S15   SING  N  N   59  
TM6  C44  H44   SING  N  N   60  
TM6  C54  O54   SING  N  N   61  
TM6  C54  C64   SING  N  N   62  
TM6  C54  H54   SING  N  N   63  
TM6  C64  O64   SING  N  N   64  
TM6  C64  H641  SING  N  N   65  
TM6  C64  H642  SING  N  N   66  
TM6  O64  HO64  SING  N  N   67  
TM6  C15  S15   SING  N  N   68  
TM6  C15  C25   SING  N  N   69  
TM6  C15  O55   SING  N  N   70  
TM6  C15  H15   SING  N  N   71  
TM6  C25  O25   SING  N  N   72  
TM6  C25  C35   SING  N  N   73  
TM6  C25  H25   SING  N  N   74  
TM6  O25  HO25  SING  N  N   75  
TM6  C35  O35   SING  N  N   76  
TM6  C35  C45   SING  N  N   77  
TM6  C35  H35   SING  N  N   78  
TM6  O35  HO35  SING  N  N   79  
TM6  C45  O45   SING  N  N   80  
TM6  C45  C55   SING  N  N   81  
TM6  C45  H45   SING  N  N   82  
TM6  O45  C16   SING  N  N   83  
TM6  C55  O55   SING  N  N   84  
TM6  C55  C65   SING  N  N   85  
TM6  C55  H55   SING  N  N   86  
TM6  C65  O65   SING  N  N   87  
TM6  C65  H651  SING  N  N   88  
TM6  C65  H652  SING  N  N   89  
TM6  O65  HO65  SING  N  N   90  
TM6  C16  C26   SING  N  N   91  
TM6  C16  O56   SING  N  N   92  
TM6  C16  H16   SING  N  N   93  
TM6  C26  O26   SING  N  N   94  
TM6  C26  C36   SING  N  N   95  
TM6  C26  H26   SING  N  N   96  
TM6  O26  HO26  SING  N  N   97  
TM6  C36  O36   SING  N  N   98  
TM6  C36  C46   SING  N  N   99  
TM6  C36  H36   SING  N  N  100  
TM6  O36  HO36  SING  N  N  101  
TM6  C46  C56   SING  N  N  102  
TM6  C46  S17   SING  N  N  103  
TM6  C46  H46   SING  N  N  104  
TM6  C56  O56   SING  N  N  105  
TM6  C56  C66   SING  N  N  106  
TM6  C56  H56   SING  N  N  107  
TM6  C66  O66   SING  N  N  108  
TM6  C66  H661  SING  N  N  109  
TM6  C66  H662  SING  N  N  110  
TM6  O66  HO66  SING  N  N  111  
TM6  C17  S17   SING  N  N  112  
TM6  C17  C27   SING  N  N  113  
TM6  C17  O57   SING  N  N  114  
TM6  C17  H17   SING  N  N  115  
TM6  C27  O27   SING  N  N  116  
TM6  C27  C37   SING  N  N  117  
TM6  C27  H27   SING  N  N  118  
TM6  O27  HO27  SING  N  N  119  
TM6  C37  O37   SING  N  N  120  
TM6  C37  C47   SING  N  N  121  
TM6  C37  H37   SING  N  N  122  
TM6  O37  HO37  SING  N  N  123  
TM6  C47  O47   SING  N  N  124  
TM6  C47  C57   SING  N  N  125  
TM6  C47  H47   SING  N  N  126  
TM6  O47  HO47  SING  N  N  127  
TM6  C57  O57   SING  N  N  128  
TM6  C57  C67   SING  N  N  129  
TM6  C57  H57   SING  N  N  130  
TM6  C67  O67   SING  N  N  131  
TM6  C67  H671  SING  N  N  132  
TM6  C67  H672  SING  N  N  133  
TM6  O67  HO67  SING  N  N  134  
#   #
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
TM6  SMILES            ACDLabs               10.04  "S(C3C(OC(OC2C(O)C(O)C(SC1C(O)C(O)C(O)OC1CO)OC2CO)C(O)C3O)CO)C6OC(C(OC5OC(CO)C(SC4OC(CO)C(O)C(O)C4O)C(O)C5O)C(O)C6O)CO"  
TM6  SMILES_CANONICAL  CACTVS                3.341  "OC[C@H]1O[C@H](S[C@@H]2[C@@H](CO)O[C@H](O[C@@H]3[C@@H](CO)O[C@H](S[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H](CO)O[C@H](S[C@@H]6[C@@H](CO)O[C@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O"  
TM6  SMILES            CACTVS                3.341  "OC[CH]1O[CH](S[CH]2[CH](CO)O[CH](O[CH]3[CH](CO)O[CH](S[CH]4[CH](CO)O[CH](O[CH]5[CH](CO)O[CH](S[CH]6[CH](CO)O[CH](O)[CH](O)[CH]6O)[CH](O)[CH]5O)[CH](O)[CH]4O)[CH](O)[CH]3O)[CH](O)[CH]2O)[CH](O)[CH](O)[CH]1O"  
TM6  SMILES_CANONICAL  "OpenEye OEToolkits"  1.5.0  "C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)S[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)S[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)S[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6O)O)O)CO)CO)CO)CO)CO)O)O)O)O"  
TM6  SMILES            "OpenEye OEToolkits"  1.5.0  "C(C1C(C(C(C(O1)SC2C(OC(C(C2O)O)OC3C(OC(C(C3O)O)SC4C(OC(C(C4O)O)OC5C(OC(C(C5O)O)SC6C(OC(C(C6O)O)O)CO)CO)CO)CO)CO)O)O)O)O"  
TM6  InChI             InChI                 1.03   "InChI=1S/C36H62O28S3/c37-1-7-13(43)14(44)23(53)34(60-7)66-29-11(5-41)58-32(21(51)18(29)48)64-27-9(3-39)62-36(25(55)16(27)46)67-30-12(6-42)59-33(22(52)19(30)49)63-26-8(2-38)61-35(24(54)15(26)45)65-28-10(4-40)57-31(56)20(50)17(28)47/h7-56H,1-6H2/t7-,8-,9-,10-,11-,12-,13-,14+,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31+,32-,33-,34-,35-,36-/m1/s1"  
TM6  InChIKey          InChI                 1.03   UMAYFXWVUSVOCQ-QXVNYKTNSA-N  
#   #
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
TM6  "SYSTEMATIC NAME"  ACDLabs               10.04  "alpha-D-glucopyranosyl-(1->4)-4-thio-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-4-thio-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-4-thio-alpha-D-glucopyranose"  
TM6  "SYSTEMATIC NAME"  "OpenEye OEToolkits"  1.5.0  "(2S,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl-oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanyl-6-(hydroxymethyl)oxane-2,3,4-triol"  
#   #
loop_
_pdbx_chem_comp_audit.comp_id
_pdbx_chem_comp_audit.action_type
_pdbx_chem_comp_audit.date
_pdbx_chem_comp_audit.processing_site
TM6  "Create component"    1999-07-08  EBI   
TM6  "Modify descriptor"   2011-06-04  RCSB  
TM6  "Other modification"  2020-07-03  RCSB  
TM6  "Obsolete component"  2020-07-17  RCSB  
##
