data_WZ4
# 
_chem_comp.id                                    WZ4 
_chem_comp.name                                  "methyl 2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->3)-[alpha-D-mannopyranosyl-(1->6)-6-thio-alpha-D-mannopyranosyl-(1->6)]-beta-D-mannopyranoside" 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C33 H57 N O25 S" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         Methyl(2-deoxy-2-acetamido-beta-D-glucopyranosyl)-(1->2)-ALPHA-D-MANNOPYRANOSYL-(1->3)-[ALPHA-D-MANNOPYRANOSYL-(1->6)-6-THIO-ALPHA-D-MANNOPYRANOSYL-(1->6)]-BETA-D-MANNOPYRANOSIDE 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2008-01-11 
_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                        899.862 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     WZ4 
_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        3BVW 
_chem_comp.pdbx_subcomponent_list                ? 
_chem_comp.pdbx_processing_site                  RCSB 
# 
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 
WZ4 O21  O21  O 0 1 N N N 32.537 63.891 8.479  -5.052  -3.448 0.502  O21  WZ4 1   
WZ4 C21  C21  C 0 1 N N S 32.101 65.186 8.916  -5.906  -3.207 -0.619 C21  WZ4 2   
WZ4 C31  C31  C 0 1 N N S 32.449 66.180 7.809  -6.990  -4.286 -0.678 C31  WZ4 3   
WZ4 O31  O31  O 0 1 N N N 33.705 65.753 7.268  -7.719  -4.300 0.551  O31  WZ4 4   
WZ4 C41  C41  C 0 1 N N S 31.369 66.159 6.700  -7.944  -3.974 -1.836 C41  WZ4 5   
WZ4 O41  O41  O 0 1 N N N 31.558 67.261 5.790  -7.228  -4.024 -3.071 O41  WZ4 6   
WZ4 C51  C51  C 0 1 N N R 29.962 66.258 7.308  -8.529  -2.572 -1.640 C51  WZ4 7   
WZ4 C61  C61  C 0 1 N N N 28.841 66.190 6.275  -9.343  -2.536 -0.345 C61  WZ4 8   
WZ4 O61  O61  O 0 1 N N N 27.581 66.431 6.942  -10.013 -1.278 -0.240 O61  WZ4 9   
WZ4 O01  O01  O 0 1 N N N 29.807 65.097 8.134  -7.466  -1.620 -1.562 O01  WZ4 10  
WZ4 C11  C11  C 0 1 N N R 30.602 65.143 9.252  -6.569  -1.835 -0.470 C11  WZ4 11  
WZ4 S62  S62  S 0 1 N N N 30.132 66.482 10.394 -5.295  -0.544 -0.471 S62  WZ4 12  
WZ4 C62  C62  C 0 1 N N N 28.333 66.768 10.161 -6.219  0.941  0.014  C62  WZ4 13  
WZ4 C52  C52  C 0 1 N N S 27.599 67.399 11.336 -5.270  2.139  0.061  C52  WZ4 14  
WZ4 O02  O02  O 0 1 N N N 26.624 66.481 11.724 -4.780  2.411  -1.254 O02  WZ4 15  
WZ4 C42  C42  C 0 1 N N S 28.400 67.860 12.528 -6.021  3.365  0.588  C42  WZ4 16  
WZ4 O42  O42  O 0 1 N N N 28.770 69.219 12.318 -6.462  3.117  1.924  O42  WZ4 17  
WZ4 C32  C32  C 0 1 N N S 27.699 67.669 13.904 -5.081  4.574  0.576  C32  WZ4 18  
WZ4 O32  O32  O 0 1 N N N 28.598 66.979 14.786 -5.794  5.739  0.997  O32  WZ4 19  
WZ4 C22  C22  C 0 1 N N S 26.362 66.887 13.886 -4.554  4.783  -0.848 C22  WZ4 20  
WZ4 O22  O22  O 0 1 N N N 26.655 65.488 14.140 -5.644  5.084  -1.721 O22  WZ4 21  
WZ4 C12  C12  C 0 1 N N S 25.646 67.027 12.551 -3.860  3.503  -1.319 C12  WZ4 22  
WZ4 O63  O63  O 0 1 N N N 25.216 68.263 12.009 -2.738  3.231  -0.477 O63  WZ4 23  
WZ4 C63  C63  C 0 1 N N N 24.088 67.915 11.212 -1.888  2.188  -0.959 C63  WZ4 24  
WZ4 C53  C53  C 0 1 N N R 23.269 67.117 12.219 -0.727  1.985  0.016  C53  WZ4 25  
WZ4 C43  C43  C 0 1 N N R 22.052 66.315 11.707 0.250   0.956  -0.560 C43  WZ4 26  
WZ4 O43  O43  O 0 1 N N N 22.112 64.922 12.075 0.800   1.452  -1.782 O43  WZ4 27  
WZ4 O53  O53  O 0 1 N N N 23.163 68.095 13.219 -1.232  1.512  1.266  O53  WZ4 28  
WZ4 C13  C13  C 0 1 N N R 21.915 68.754 13.358 -0.228  1.311  2.263  C13  WZ4 29  
WZ4 O13  O13  O 0 1 N N N 22.162 70.163 13.432 -0.841  0.866  3.475  O13  WZ4 30  
WZ4 C73  C73  C 0 1 N N N 23.073 70.383 14.495 -1.709  1.829  4.075  C73  WZ4 31  
WZ4 C23  C23  C 0 1 N N S 20.891 68.426 12.287 0.769   0.256  1.777  C23  WZ4 32  
WZ4 O23  O23  O 0 1 N N N 21.333 68.981 11.047 0.092   -0.989 1.590  O23  WZ4 33  
WZ4 C33  C33  C 0 1 N N S 20.728 66.915 12.155 1.377   0.713  0.448  C33  WZ4 34  
WZ4 O14  O14  O 0 1 N N N 19.740 66.549 11.198 2.253   -0.300 -0.050 O14  WZ4 35  
WZ4 C14  C14  C 0 1 N N R 18.812 65.727 11.868 3.608   -0.160 0.383  C14  WZ4 36  
WZ4 O04  O04  O 0 1 N N N 18.156 66.417 12.950 3.695   -0.451 1.779  O04  WZ4 37  
WZ4 C54  C54  C 0 1 N N R 17.287 67.439 12.495 3.251   -1.764 2.130  C54  WZ4 38  
WZ4 C64  C64  C 0 1 N N N 16.683 68.071 13.767 3.362   -1.952 3.644  C64  WZ4 39  
WZ4 O64  O64  O 0 1 N N N 17.729 68.710 14.495 2.461   -1.060 4.302  O64  WZ4 40  
WZ4 C44  C44  C 0 1 N N S 16.209 66.795 11.639 4.125   -2.802 1.421  C44  WZ4 41  
WZ4 O44  O44  O 0 1 N N N 15.282 67.782 11.191 3.648   -4.115 1.724  O44  WZ4 42  
WZ4 C34  C34  C 0 1 N N S 16.812 66.032 10.449 4.056   -2.569 -0.091 C34  WZ4 43  
WZ4 O34  O34  O 0 1 N N N 15.795 65.366 9.725  4.926   -3.487 -0.757 O34  WZ4 44  
WZ4 C24  C24  C 0 1 N N S 17.847 65.026 10.931 4.496   -1.134 -0.396 C24  WZ4 45  
WZ4 O15  O15  O 0 1 N N N 17.145 64.111 11.760 5.858   -0.958 -0.002 O15  WZ4 46  
WZ4 C15  C15  C 0 1 N N S 17.758 62.818 11.709 6.569   0.007  -0.781 C15  WZ4 47  
WZ4 O55  O55  O 0 1 N N N 17.087 62.105 10.663 6.676   -0.455 -2.129 O55  WZ4 48  
WZ4 C55  C55  C 0 1 N N R 17.475 60.728 10.552 7.351   0.452  -3.004 C55  WZ4 49  
WZ4 C65  C65  C 0 1 N N N 16.665 60.144 9.426  7.381   -0.131 -4.418 C65  WZ4 50  
WZ4 O65  O65  O 0 1 N N N 15.287 60.411 9.699  6.047   -0.222 -4.924 O65  WZ4 51  
WZ4 C45  C45  C 0 1 N N S 17.142 60.012 11.873 8.783   0.665  -2.509 C45  WZ4 52  
WZ4 O45  O45  O 0 1 N N N 17.494 58.637 11.792 9.442   1.616  -3.349 O45  WZ4 53  
WZ4 C35  C35  C 0 1 N N R 17.927 60.669 12.993 8.746   1.192  -1.071 C35  WZ4 54  
WZ4 O35  O35  O 0 1 N N N 17.657 59.964 14.206 10.080  1.325  -0.576 O35  WZ4 55  
WZ4 C25  C25  C 0 1 N N R 17.508 62.146 13.068 7.970   0.202  -0.197 C25  WZ4 56  
WZ4 N25  N25  N 0 1 N N N 18.191 62.903 14.123 7.864   0.731  1.165  N25  WZ4 57  
WZ4 C75  C75  C 0 1 N N N 17.511 63.757 14.897 7.690   -0.110 2.204  C75  WZ4 58  
WZ4 O75  O75  O 0 1 N N N 16.309 63.950 14.805 7.621   -1.306 2.010  O75  WZ4 59  
WZ4 C85  C85  C 0 1 N N N 18.329 64.518 15.925 7.580   0.434  3.605  C85  WZ4 60  
WZ4 HO21 HO21 H 0 0 N N N 32.633 63.891 7.534  -4.341  -2.801 0.601  HO21 WZ4 61  
WZ4 H21  H21  H 0 1 N N N 32.607 65.505 9.839  -5.318  -3.230 -1.536 H21  WZ4 62  
WZ4 H31  H31  H 0 1 N N N 32.501 67.206 8.203  -6.528  -5.260 -0.839 H31  WZ4 63  
WZ4 HO31 HO31 H 0 0 N N N 33.629 65.658 6.326  -7.175  -4.486 1.328  HO31 WZ4 64  
WZ4 H41  H41  H 0 1 N N N 31.468 65.208 6.157  -8.750  -4.707 -1.852 H41  WZ4 65  
WZ4 HO41 HO41 H 0 0 N N N 31.600 68.074 6.280  -6.826  -4.883 -3.258 HO41 WZ4 66  
WZ4 H51  H51  H 0 1 N N N 29.885 67.223 7.830  -9.175  -2.328 -2.483 H51  WZ4 67  
WZ4 H61  H61  H 0 1 N N N 29.003 66.954 5.500  -10.078 -3.340 -0.355 H61  WZ4 68  
WZ4 H61A H61A H 0 0 N N N 28.829 65.198 5.800  -8.675  -2.664 0.507  H61A WZ4 69  
WZ4 HO61 HO61 H 0 0 N N N 27.724 66.484 7.880  -10.550 -1.184 0.559  HO61 WZ4 70  
WZ4 H11  H11  H 0 1 N N N 30.422 64.195 9.780  -7.123  -1.799 0.468  H11  WZ4 71  
WZ4 H62  H62  H 0 1 N N N 28.217 67.444 9.301  -7.009  1.131  -0.713 H62  WZ4 72  
WZ4 H62A H62A H 0 0 N N N 27.886 65.772 10.028 -6.661  0.788  0.999  H62A WZ4 73  
WZ4 H52  H52  H 0 1 N N N 27.207 68.358 10.965 -4.432  1.914  0.721  H52  WZ4 74  
WZ4 H42  H42  H 0 1 N N N 29.287 67.213 12.594 -6.883  3.566  -0.048 H42  WZ4 75  
WZ4 HO42 HO42 H 0 0 N N N 28.852 69.658 13.156 -6.946  3.853  2.322  HO42 WZ4 76  
WZ4 H32  H32  H 0 1 N N N 27.447 68.687 14.236 -4.246  4.394  1.252  H32  WZ4 77  
WZ4 HO32 HO32 H 0 0 N N N 29.424 66.827 14.342 -5.259  6.544  1.012  HO32 WZ4 78  
WZ4 H22  H22  H 0 1 N N N 25.697 67.298 14.660 -3.842  5.609  -0.855 H22  WZ4 79  
WZ4 HO22 HO22 H 0 0 N N N 26.719 65.022 13.314 -5.383  5.229  -2.641 HO22 WZ4 80  
WZ4 H12  H12  H 0 1 N N N 24.647 66.581 12.665 -3.520  3.631  -2.347 H12  WZ4 81  
WZ4 H63  H63  H 0 1 N N N 23.550 68.797 10.835 -2.459  1.263  -1.042 H63  WZ4 82  
WZ4 H63A H63A H 0 0 N N N 24.335 67.367 10.291 -1.496  2.462  -1.939 H63A WZ4 83  
WZ4 H53  H53  H 0 1 N N N 23.705 66.179 12.593 -0.209  2.932  0.168  H53  WZ4 84  
WZ4 H43  H43  H 0 1 N N N 22.103 66.380 10.610 -0.277  0.021  -0.751 H43  WZ4 85  
WZ4 HO43 HO43 H 0 0 N N N 22.125 64.387 11.290 0.140   1.633  -2.466 HO43 WZ4 86  
WZ4 H13  H13  H 0 1 N N N 21.450 68.382 14.283 0.296   2.250  2.445  H13  WZ4 87  
WZ4 H73  H73  H 0 1 N N N 24.096 70.440 14.096 -2.512  2.077  3.381  H73  WZ4 88  
WZ4 H73A H73A H 0 0 N N N 22.824 71.327 15.001 -2.135  1.415  4.989  H73A WZ4 89  
WZ4 H73B H73B H 0 0 N N N 23.006 69.552 15.213 -1.144  2.730  4.313  H73B WZ4 90  
WZ4 H23  H23  H 0 1 N N N 19.916 68.855 12.563 1.559   0.133  2.517  H23  WZ4 91  
WZ4 HO23 HO23 H 0 0 N N N 21.431 69.922 11.138 -0.322  -1.336 2.392  HO23 WZ4 92  
WZ4 H33  H33  H 0 1 N N N 20.412 66.536 13.138 1.935   1.637  0.601  H33  WZ4 93  
WZ4 H14  H14  H 0 1 N N N 19.396 64.917 12.330 3.944   0.861  0.203  H14  WZ4 94  
WZ4 H54  H54  H 0 1 N N N 17.794 68.205 11.889 2.214   -1.891 1.823  H54  WZ4 95  
WZ4 H64  H64  H 0 1 N N N 15.918 68.810 13.488 3.109   -2.981 3.902  H64  WZ4 96  
WZ4 H64A H64A H 0 0 N N N 16.213 67.293 14.387 4.382   -1.738 3.963  H64A WZ4 97  
WZ4 HO64 HO64 H 0 0 N N N 18.473 68.852 13.922 2.477   -1.125 5.267  HO64 WZ4 98  
WZ4 H44  H44  H 0 1 N N N 15.674 66.062 12.261 5.156   -2.703 1.759  H44  WZ4 99  
WZ4 HO44 HO44 H 0 0 N N N 15.076 68.372 11.907 3.659   -4.329 2.667  HO44 WZ4 100 
WZ4 H34  H34  H 0 1 N N N 17.305 66.759 9.786  3.033   -2.720 -0.437 H34  WZ4 101 
WZ4 HO34 HO34 H 0 0 N N N 15.048 65.217 10.292 4.709   -4.417 -0.602 HO34 WZ4 102 
WZ4 H24  H24  H 0 1 N N N 18.366 64.564 10.078 4.397   -0.942 -1.465 H24  WZ4 103 
WZ4 H15  H15  H 0 1 N N N 18.840 62.851 11.515 6.032   0.955  -0.763 H15  WZ4 104 
WZ4 H55  H55  H 0 1 N N N 18.551 60.616 10.355 6.824   1.406  -3.015 H55  WZ4 105 
WZ4 H65  H65  H 0 1 N N N 16.957 60.606 8.471  7.971   0.517  -5.066 H65  WZ4 106 
WZ4 H65A H65A H 0 0 N N N 16.839 59.061 9.348  7.828   -1.124 -4.392 H65A WZ4 107 
WZ4 HO65 HO65 H 0 0 N N N 15.155 60.470 10.638 5.990   -0.585 -5.819 HO65 WZ4 108 
WZ4 H45  H45  H 0 1 N N N 16.062 60.088 12.068 9.323   -0.281 -2.537 H45  WZ4 109 
WZ4 HO45 HO45 H 0 0 N N N 17.573 58.383 10.880 9.498   1.349  -4.276 HO45 WZ4 110 
WZ4 H35  H35  H 0 1 N N N 19.012 60.631 12.816 8.251   2.163  -1.051 H35  WZ4 111 
WZ4 HO35 HO35 H 0 0 N N N 17.597 59.033 14.025 10.631  1.933  -1.087 HO35 WZ4 112 
WZ4 H25  H25  H 0 1 N N N 16.438 62.155 13.322 8.493   -0.754 -0.177 H25  WZ4 113 
WZ4 HN25 HN25 H 0 0 N N N 19.173 62.780 14.265 7.918   1.687  1.320  HN25 WZ4 114 
WZ4 H85  H85  H 0 1 N N N 19.338 64.702 15.528 6.534   0.641  3.833  H85  WZ4 115 
WZ4 H85A H85A H 0 0 N N N 17.840 65.479 16.144 7.968   -0.300 4.311  H85A WZ4 116 
WZ4 H85B H85B H 0 0 N N N 18.401 63.924 16.848 8.158   1.355  3.683  H85B WZ4 117 
# 
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 
WZ4 O21 C21  SING N N 1   
WZ4 C21 C31  SING N N 2   
WZ4 C21 C11  SING N N 3   
WZ4 C31 O31  SING N N 4   
WZ4 C31 C41  SING N N 5   
WZ4 C41 O41  SING N N 6   
WZ4 C41 C51  SING N N 7   
WZ4 C51 C61  SING N N 8   
WZ4 C51 O01  SING N N 9   
WZ4 C61 O61  SING N N 10  
WZ4 O01 C11  SING N N 11  
WZ4 C11 S62  SING N N 12  
WZ4 S62 C62  SING N N 13  
WZ4 C62 C52  SING N N 14  
WZ4 C52 O02  SING N N 15  
WZ4 C52 C42  SING N N 16  
WZ4 O02 C12  SING N N 17  
WZ4 C42 O42  SING N N 18  
WZ4 C42 C32  SING N N 19  
WZ4 C32 O32  SING N N 20  
WZ4 C32 C22  SING N N 21  
WZ4 C22 O22  SING N N 22  
WZ4 C22 C12  SING N N 23  
WZ4 C12 O63  SING N N 24  
WZ4 O63 C63  SING N N 25  
WZ4 C63 C53  SING N N 26  
WZ4 C53 C43  SING N N 27  
WZ4 C53 O53  SING N N 28  
WZ4 C43 O43  SING N N 29  
WZ4 C43 C33  SING N N 30  
WZ4 O53 C13  SING N N 31  
WZ4 C13 O13  SING N N 32  
WZ4 C13 C23  SING N N 33  
WZ4 O13 C73  SING N N 34  
WZ4 C23 O23  SING N N 35  
WZ4 C23 C33  SING N N 36  
WZ4 C33 O14  SING N N 37  
WZ4 O14 C14  SING N N 38  
WZ4 C14 O04  SING N N 39  
WZ4 C14 C24  SING N N 40  
WZ4 O04 C54  SING N N 41  
WZ4 C54 C64  SING N N 42  
WZ4 C54 C44  SING N N 43  
WZ4 C64 O64  SING N N 44  
WZ4 C44 O44  SING N N 45  
WZ4 C44 C34  SING N N 46  
WZ4 C34 O34  SING N N 47  
WZ4 C34 C24  SING N N 48  
WZ4 C24 O15  SING N N 49  
WZ4 O15 C15  SING N N 50  
WZ4 C15 O55  SING N N 51  
WZ4 C15 C25  SING N N 52  
WZ4 O55 C55  SING N N 53  
WZ4 C55 C65  SING N N 54  
WZ4 C55 C45  SING N N 55  
WZ4 C65 O65  SING N N 56  
WZ4 C45 O45  SING N N 57  
WZ4 C45 C35  SING N N 58  
WZ4 C35 O35  SING N N 59  
WZ4 C35 C25  SING N N 60  
WZ4 C25 N25  SING N N 61  
WZ4 N25 C75  SING N N 62  
WZ4 C75 O75  DOUB N N 63  
WZ4 C75 C85  SING N N 64  
WZ4 O21 HO21 SING N N 65  
WZ4 C21 H21  SING N N 66  
WZ4 C31 H31  SING N N 67  
WZ4 O31 HO31 SING N N 68  
WZ4 C41 H41  SING N N 69  
WZ4 O41 HO41 SING N N 70  
WZ4 C51 H51  SING N N 71  
WZ4 C61 H61  SING N N 72  
WZ4 C61 H61A SING N N 73  
WZ4 O61 HO61 SING N N 74  
WZ4 C11 H11  SING N N 75  
WZ4 C62 H62  SING N N 76  
WZ4 C62 H62A SING N N 77  
WZ4 C52 H52  SING N N 78  
WZ4 C42 H42  SING N N 79  
WZ4 O42 HO42 SING N N 80  
WZ4 C32 H32  SING N N 81  
WZ4 O32 HO32 SING N N 82  
WZ4 C22 H22  SING N N 83  
WZ4 O22 HO22 SING N N 84  
WZ4 C12 H12  SING N N 85  
WZ4 C63 H63  SING N N 86  
WZ4 C63 H63A SING N N 87  
WZ4 C53 H53  SING N N 88  
WZ4 C43 H43  SING N N 89  
WZ4 O43 HO43 SING N N 90  
WZ4 C13 H13  SING N N 91  
WZ4 C73 H73  SING N N 92  
WZ4 C73 H73A SING N N 93  
WZ4 C73 H73B SING N N 94  
WZ4 C23 H23  SING N N 95  
WZ4 O23 HO23 SING N N 96  
WZ4 C33 H33  SING N N 97  
WZ4 C14 H14  SING N N 98  
WZ4 C54 H54  SING N N 99  
WZ4 C64 H64  SING N N 100 
WZ4 C64 H64A SING N N 101 
WZ4 O64 HO64 SING N N 102 
WZ4 C44 H44  SING N N 103 
WZ4 O44 HO44 SING N N 104 
WZ4 C34 H34  SING N N 105 
WZ4 O34 HO34 SING N N 106 
WZ4 C24 H24  SING N N 107 
WZ4 C15 H15  SING N N 108 
WZ4 C55 H55  SING N N 109 
WZ4 C65 H65  SING N N 110 
WZ4 C65 H65A SING N N 111 
WZ4 O65 HO65 SING N N 112 
WZ4 C45 H45  SING N N 113 
WZ4 O45 HO45 SING N N 114 
WZ4 C35 H35  SING N N 115 
WZ4 O35 HO35 SING N N 116 
WZ4 C25 H25  SING N N 117 
WZ4 N25 HN25 SING N N 118 
WZ4 C85 H85  SING N N 119 
WZ4 C85 H85A SING N N 120 
WZ4 C85 H85B SING N N 121 
# 
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 
WZ4 SMILES           ACDLabs              10.04 O=C(NC5C(O)C(O)C(OC5OC4C(O)C(O)C(OC4OC1C(O)C(OC(OC)C1O)COC3OC(CSC2OC(C(O)C(O)C2O)CO)C(O)C(O)C3O)CO)CO)C 
WZ4 InChI            InChI                1.02b 
;InChI=1/C33H57NO25S/c1-8(38)34-14-20(44)15(39)9(3-35)53-29(14)59-28-23(47)17(41)10(4-36)54-32(28)58-27-19(43)12(55-30(51-2)26(27)50)6-52-31-24(48)21(45)18(42)13(56-31)7-60-33-25(49)22(46)16(40)11(5-37)57-33/h9-33,35-37,39-50H,3-7H2,1-2H3,(H,34,38)/t9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21+,22+,23+,24+,25+,26+,27+,28+,29+,30-,31+,32-,33-/m1/s1/f/h34H
;
WZ4 InChIKey         InChI                1.02b ROKHVBHTOKKHED-ULDMNJAGDY 
WZ4 SMILES_CANONICAL CACTVS               3.341 
CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CS[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5NC(C)=O)[C@@H]1O 
WZ4 SMILES           CACTVS               3.341 CO[CH]1O[CH](CO[CH]2O[CH](CS[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O)[CH](O)[CH](O)[CH]2O)[CH](O)[CH](O[CH]4O[CH](CO)[CH](O)[CH](O)[CH]4O[CH]5O[CH](CO)[CH](O)[CH](O)[CH]5NC(C)=O)[CH]1O 
WZ4 SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H]2[C@H]([C@@H]([C@H](O[C@@H]2O[C@H]3[C@@H]([C@H](O[C@H]([C@H]3O)OC)CO[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CS[C@@H]5[C@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O)O)CO)O)O)CO)O)O 
WZ4 SMILES           "OpenEye OEToolkits" 1.5.0 CC(=O)NC1C(C(C(OC1OC2C(C(C(OC2OC3C(C(OC(C3O)OC)COC4C(C(C(C(O4)CSC5C(C(C(C(O5)CO)O)O)O)O)O)O)O)CO)O)O)CO)O)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 
WZ4 "SYSTEMATIC NAME" ACDLabs              10.04 "methyl 2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->3)-[alpha-D-mannopyranosyl-(1->6)-6-thio-alpha-D-mannopyranosyl-(1->6)]-beta-D-mannopyranoside" 
WZ4 "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 
;N-[(2S,3R,4R,5S,6R)-2-[(2R,3S,4S,5S,6R)-2-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-methoxy-6-[[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-[[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]sulfanylmethyl]oxan-2-yl]oxymethyl]oxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanamide
;
# 
