data_WZ5
# 
_chem_comp.id                                    WZ5 
_chem_comp.name                                  "methyl 2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->3)-[alpha-D-mannopyranosyl-(1->6)-alpha-D-mannopyranosyl-(1->6)]-beta-D-mannopyranoside" 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C33 H57 N O26" 
_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)-(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                        883.797 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     WZ5 
_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        3BVX 
_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 
WZ5 O21  O21  O 0 1 N N N 32.620 63.865 8.603  -6.185 3.589  -2.824 O21  WZ5 1   
WZ5 C21  C21  C 0 1 N N S 32.156 65.149 8.965  -5.496 2.618  -2.033 C21  WZ5 2   
WZ5 C31  C31  C 0 1 N N S 32.479 66.125 7.825  -4.816 3.313  -0.849 C31  WZ5 3   
WZ5 O31  O31  O 0 1 N N N 33.721 65.728 7.258  -3.935 4.329  -1.333 O31  WZ5 4   
WZ5 C41  C41  C 0 1 N N S 31.408 66.107 6.726  -5.889 3.946  0.042  C41  WZ5 5   
WZ5 O41  O41  O 0 1 N N N 31.552 67.214 5.817  -5.271 4.535  1.188  O41  WZ5 6   
WZ5 C51  C51  C 0 1 N N R 30.007 66.157 7.346  -6.873 2.863  0.491  C51  WZ5 7   
WZ5 C61  C61  C 0 1 N N N 28.876 66.119 6.312  -7.982 3.499  1.332  C61  WZ5 8   
WZ5 O61  O61  O 0 1 N N N 27.621 66.318 6.999  -8.835 2.474  1.847  O61  WZ5 9   
WZ5 O01  O01  O 0 1 N N N 29.838 64.988 8.132  -7.446 2.237  -0.659 O01  WZ5 10  
WZ5 C11  C11  C 0 1 N N S 30.653 65.033 9.273  -6.495 1.587  -1.504 C11  WZ5 11  
WZ5 O62  O62  O 0 1 N N N 30.234 66.054 10.134 -5.799 0.587  -0.757 O62  WZ5 12  
WZ5 C62  C62  C 0 1 N N N 28.884 65.838 10.525 -6.601 -0.543 -0.409 C62  WZ5 13  
WZ5 C52  C52  C 0 1 N N R 28.407 66.749 11.644 -5.756 -1.542 0.384  C52  WZ5 14  
WZ5 O02  O02  O 0 1 N N N 27.215 66.043 12.009 -5.368 -0.957 1.629  O02  WZ5 15  
WZ5 C42  C42  C 0 1 N N S 29.281 66.789 12.912 -6.578 -2.806 0.652  C42  WZ5 16  
WZ5 O42  O42  O 0 1 N N N 30.527 67.438 12.695 -6.919 -3.426 -0.590 O42  WZ5 17  
WZ5 C32  C32  C 0 1 N N S 28.570 67.531 14.031 -5.748 -3.777 1.497  C32  WZ5 18  
WZ5 O32  O32  O 0 1 N N N 29.277 67.258 15.236 -6.533 -4.928 1.813  O32  WZ5 19  
WZ5 C22  C22  C 0 1 N N S 27.129 67.056 14.183 -5.323 -3.075 2.791  C22  WZ5 20  
WZ5 O22  O22  O 0 1 N N N 27.157 65.794 14.837 -6.483 -2.735 3.553  O22  WZ5 21  
WZ5 C12  C12  C 0 1 N N S 26.413 66.851 12.852 -4.550 -1.801 2.441  C12  WZ5 22  
WZ5 O63  O63  O 0 1 N N N 26.031 68.010 12.152 -3.362 -2.146 1.725  O63  WZ5 23  
WZ5 C63  C63  C 0 1 N N N 25.012 67.659 11.190 -2.455 -1.056 1.544  C63  WZ5 24  
WZ5 C53  C53  C 0 1 N N R 23.677 67.577 11.912 -1.227 -1.538 0.770  C53  WZ5 25  
WZ5 C43  C43  C 0 1 N N R 22.543 66.847 11.154 -0.200 -0.406 0.684  C43  WZ5 26  
WZ5 O43  O43  O 0 1 N N N 22.858 65.467 11.003 0.235  -0.055 1.999  O43  WZ5 27  
WZ5 O53  O53  O 0 1 N N N 23.330 68.907 12.263 -1.617 -1.926 -0.549 O53  WZ5 28  
WZ5 C13  C13  C 0 1 N N R 22.231 68.912 13.164 -0.544 -2.419 -1.354 C13  WZ5 29  
WZ5 O13  O13  O 0 1 N N N 22.041 70.310 13.485 -1.047 -2.801 -2.636 O13  WZ5 30  
WZ5 C73  C73  C 0 1 N N N 22.983 70.733 14.455 -1.959 -3.901 -2.599 C73  WZ5 31  
WZ5 C23  C23  C 0 1 N N S 21.039 68.365 12.363 0.510  -1.322 -1.525 C23  WZ5 32  
WZ5 O23  O23  O 0 1 N N N 20.871 69.109 11.164 -0.067 -0.208 -2.210 O23  WZ5 33  
WZ5 C33  C33  C 0 1 N N S 21.247 66.913 11.957 0.999  -0.876 -0.144 C33  WZ5 34  
WZ5 O14  O14  O 0 1 N N N 20.138 66.505 11.137 1.930  0.199  -0.290 O14  WZ5 35  
WZ5 C14  C14  C 0 1 N N R 19.250 65.701 11.876 3.290  -0.222 -0.411 C14  WZ5 36  
WZ5 O04  O04  O 0 1 N N N 18.671 66.428 12.965 3.481  -0.862 -1.674 O04  WZ5 37  
WZ5 C54  C54  C 0 1 N N R 17.818 67.485 12.542 3.173  -0.036 -2.799 C54  WZ5 38  
WZ5 C64  C64  C 0 1 N N N 17.159 68.096 13.764 3.386  -0.830 -4.089 C64  WZ5 39  
WZ5 O64  O64  O 0 1 N N N 18.170 68.637 14.595 2.450  -1.909 -4.144 O64  WZ5 40  
WZ5 C44  C44  C 0 1 N N S 16.684 66.907 11.712 4.090  1.190  -2.797 C44  WZ5 41  
WZ5 O44  O44  O 0 1 N N N 15.828 67.963 11.273 3.745  2.046  -3.888 O44  WZ5 42  
WZ5 C34  C34  C 0 1 N N S 17.239 66.162 10.501 3.915  1.947  -1.477 C34  WZ5 43  
WZ5 O34  O34  O 0 1 N N N 16.181 65.589 9.757  4.820  3.051  -1.435 O34  WZ5 44  
WZ5 C24  C24  C 0 1 N N S 18.211 65.082 10.960 4.212  0.996  -0.313 C24  WZ5 45  
WZ5 O15  O15  O 0 1 N N N 17.459 64.196 11.797 5.574  0.571  -0.380 O15  WZ5 46  
WZ5 C15  C15  C 0 1 N N S 17.895 62.836 11.688 6.154  0.274  0.892  C15  WZ5 47  
WZ5 O55  O55  O 0 1 N N N 17.166 62.175 10.644 6.223  1.468  1.675  O55  WZ5 48  
WZ5 C55  C55  C 0 1 N N R 17.488 60.785 10.520 6.766  1.277  2.983  C55  WZ5 49  
WZ5 C65  C65  C 0 1 N N N 16.572 60.237 9.460  6.765  2.610  3.734  C65  WZ5 50  
WZ5 O65  O65  O 0 1 N N N 15.223 60.603 9.783  5.418  3.038  3.943  O65  WZ5 51  
WZ5 C45  C45  C 0 1 N N S 17.144 60.097 11.840 8.201  0.758  2.867  C45  WZ5 52  
WZ5 O45  O45  O 0 1 N N N 17.452 58.715 11.745 8.727  0.512  4.173  O45  WZ5 53  
WZ5 C35  C35  C 0 1 N N R 17.949 60.694 12.956 8.201  -0.545 2.062  C35  WZ5 54  
WZ5 O35  O35  O 0 1 N N N 17.691 59.952 14.153 9.545  -0.999 1.886  O35  WZ5 55  
WZ5 C25  C25  C 0 1 N N R 17.604 62.174 13.041 7.564  -0.286 0.693  C25  WZ5 56  
WZ5 N25  N25  N 0 1 N N N 18.360 62.872 14.076 7.491  -1.542 -0.058 N25  WZ5 57  
WZ5 C75  C75  C 0 1 N N N 17.766 63.782 14.850 7.449  -1.520 -1.405 C75  WZ5 58  
WZ5 C85  C85  C 0 1 N N N 18.662 64.475 15.872 7.374  -2.811 -2.178 C85  WZ5 59  
WZ5 O75  O75  O 0 1 N N N 16.570 64.057 14.785 7.473  -0.461 -1.996 O75  WZ5 60  
WZ5 HO21 HO21 H 0 0 N N N 32.724 63.820 7.660  -6.639 3.218  -3.593 HO21 WZ5 61  
WZ5 H21  H21  H 0 1 N N N 32.650 65.542 9.866  -4.744 2.118  -2.643 H21  WZ5 62  
WZ5 H31  H31  H 0 1 N N N 32.517 67.145 8.235  -4.248 2.581  -0.274 H31  WZ5 63  
WZ5 HO31 HO31 H 0 0 N N N 33.626 65.639 6.317  -3.233 3.998  -1.910 HO31 WZ5 64  
WZ5 H41  H41  H 0 1 N N N 31.542 65.171 6.163  -6.422 4.714  -0.520 H41  WZ5 65  
WZ5 HO41 HO41 H 0 0 N N N 31.584 68.026 6.309  -4.630 5.228  0.977  HO41 WZ5 66  
WZ5 H51  H51  H 0 1 N N N 29.946 67.101 7.908  -6.347 2.118  1.087  H51  WZ5 67  
WZ5 H61  H61  H 0 1 N N N 29.024 66.916 5.568  -7.538 4.052  2.159  H61  WZ5 68  
WZ5 H61A H61A H 0 0 N N N 28.872 65.149 5.794  -8.565 4.179  0.711  H61A WZ5 69  
WZ5 HO61 HO61 H 0 0 N N N 27.775 66.362 7.935  -9.562 2.806  2.392  HO61 WZ5 70  
WZ5 H11  H11  H 0 1 N N N 30.532 64.061 9.774  -7.013 1.119  -2.342 H11  WZ5 71  
WZ5 H62  H62  H 0 1 N N N 28.245 66.016 9.648  -7.444 -0.216 0.200  H62  WZ5 72  
WZ5 H62A H62A H 0 0 N N N 28.823 64.807 10.905 -6.971 -1.020 -1.316 H62A WZ5 73  
WZ5 H52  H52  H 0 1 N N N 28.359 67.796 11.309 -4.866 -1.802 -0.189 H52  WZ5 74  
WZ5 H42  H42  H 0 1 N N N 29.462 65.739 13.185 -7.489 -2.541 1.189  H42  WZ5 75  
WZ5 HO42 HO42 H 0 0 N N N 30.651 67.583 11.764 -7.441 -4.234 -0.496 HO42 WZ5 76  
WZ5 H32  H32  H 0 1 N N N 28.549 68.607 13.804 -4.863 -4.081 0.938  H32  WZ5 77  
WZ5 HO32 HO32 H 0 0 N N N 30.207 67.197 15.051 -6.069 -5.586 2.348  HO32 WZ5 78  
WZ5 H22  H22  H 0 1 N N N 26.588 67.833 14.743 -4.686 -3.740 3.374  H22  WZ5 79  
WZ5 HO22 HO22 H 0 0 N N N 27.163 65.100 14.188 -6.288 -2.287 4.387  HO22 WZ5 80  
WZ5 H12  H12  H 0 1 N N N 25.463 66.369 13.126 -4.282 -1.275 3.357  H12  WZ5 81  
WZ5 H63  H63  H 0 1 N N N 24.963 68.425 10.402 -2.949 -0.262 0.985  H63  WZ5 82  
WZ5 H63A H63A H 0 0 N N N 25.250 66.691 10.726 -2.145 -0.677 2.518  H63A WZ5 83  
WZ5 H53  H53  H 0 1 N N N 23.800 66.936 12.797 -0.785 -2.392 1.284  H53  WZ5 84  
WZ5 H43  H43  H 0 1 N N N 22.430 67.336 10.175 -0.655 0.463  0.207  H43  WZ5 85  
WZ5 HO43 HO43 H 0 0 N N N 22.928 65.257 10.079 -0.476 0.248  2.581  HO43 WZ5 86  
WZ5 H13  H13  H 0 1 N N N 22.362 68.317 14.080 -0.093 -3.284 -0.868 H13  WZ5 87  
WZ5 H73  H73  H 0 1 N N N 23.971 70.843 13.984 -2.294 -4.129 -3.611 H73  WZ5 88  
WZ5 H73A H73A H 0 0 N N N 22.668 71.700 14.875 -1.460 -4.773 -2.177 H73A WZ5 89  
WZ5 H73B H73B H 0 0 N N N 23.042 69.985 15.259 -2.818 -3.639 -1.982 H73B WZ5 90  
WZ5 H23  H23  H 0 1 N N N 20.158 68.448 13.017 1.349  -1.710 -2.102 H23  WZ5 91  
WZ5 HO23 HO23 H 0 0 N N N 20.834 70.036 11.369 -0.404 -0.420 -3.091 HO23 WZ5 92  
WZ5 H33  H33  H 0 1 N N N 21.309 66.251 12.833 1.484  -1.713 0.359  H33  WZ5 93  
WZ5 H14  H14  H 0 1 N N N 19.815 64.874 12.330 3.526  -0.922 0.391  H14  WZ5 94  
WZ5 H54  H54  H 0 1 N N N 18.410 68.219 11.975 2.133  0.287  -2.739 H54  WZ5 95  
WZ5 H64  H64  H 0 1 N N N 16.465 68.892 13.455 3.237  -0.176 -4.948 H64  WZ5 96  
WZ5 H64A H64A H 0 0 N N N 16.593 67.328 14.311 4.400  -1.228 -4.107 H64A WZ5 97  
WZ5 HO64 HO64 H 0 0 N N N 18.965 68.758 14.089 2.527  -2.457 -4.938 HO64 WZ5 98  
WZ5 H44  H44  H 0 1 N N N 16.113 66.201 12.332 5.127  0.869  -2.899 H44  WZ5 99  
WZ5 HO44 HO44 H 0 0 N N N 15.638 68.541 12.002 3.828  1.630  -4.756 HO44 WZ5 100 
WZ5 H34  H34  H 0 1 N N N 17.777 66.872 9.855  2.891  2.312  -1.399 H34  WZ5 101 
WZ5 HO34 HO34 H 0 0 N N N 15.429 65.461 10.323 4.694  3.691  -2.149 HO34 WZ5 102 
WZ5 H24  H24  H 0 1 N N N 18.679 64.595 10.092 4.036  1.511  0.632  H24  WZ5 103 
WZ5 H15  H15  H 0 1 N N N 18.965 62.775 11.442 5.539  -0.464 1.408  H15  WZ5 104 
WZ5 H55  H55  H 0 1 N N N 18.549 60.629 10.274 6.160  0.553  3.526  H55  WZ5 105 
WZ5 H65  H65  H 0 1 N N N 16.846 60.656 8.480  7.260  2.484  4.698  H65  WZ5 106 
WZ5 H65A H65A H 0 0 N N N 16.662 59.142 9.417  7.297  3.359  3.148  H65A WZ5 107 
WZ5 HO65 HO65 H 0 0 N N N 15.133 60.684 10.725 5.341  3.878  4.416  HO65 WZ5 108 
WZ5 H45  H45  H 0 1 N N N 16.072 60.234 12.045 8.818  1.500  2.360  H45  WZ5 109 
WZ5 HO45 HO45 H 0 0 N N N 17.521 58.468 10.830 8.752  1.294  4.741  HO45 WZ5 110 
WZ5 H35  H35  H 0 1 N N N 19.034 60.629 12.786 7.627  -1.303 2.595  H35  WZ5 111 
WZ5 HO35 HO35 H 0 0 N N N 17.634 59.027 13.946 10.011 -1.176 2.714  HO35 WZ5 112 
WZ5 H25  H25  H 0 1 N N N 16.538 62.245 13.302 8.168  0.435  0.141  H25  WZ5 113 
WZ5 HN25 HN25 H 0 0 N N N 19.330 62.667 14.206 7.472  -2.389 0.414  HN25 WZ5 114 
WZ5 H85  H85  H 0 1 N N N 19.657 64.642 15.434 6.329  -3.082 -2.332 H85  WZ5 115 
WZ5 H85A H85A H 0 0 N N N 18.218 65.442 16.153 7.863  -2.686 -3.144 H85A WZ5 116 
WZ5 H85B H85B H 0 0 N N N 18.756 63.841 16.766 7.875  -3.600 -1.617 H85B WZ5 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 
WZ5 O21 C21  SING N N 1   
WZ5 C21 C31  SING N N 2   
WZ5 C21 C11  SING N N 3   
WZ5 C31 O31  SING N N 4   
WZ5 C31 C41  SING N N 5   
WZ5 C41 O41  SING N N 6   
WZ5 C41 C51  SING N N 7   
WZ5 C51 C61  SING N N 8   
WZ5 C51 O01  SING N N 9   
WZ5 C61 O61  SING N N 10  
WZ5 O01 C11  SING N N 11  
WZ5 C11 O62  SING N N 12  
WZ5 O62 C62  SING N N 13  
WZ5 C62 C52  SING N N 14  
WZ5 C52 O02  SING N N 15  
WZ5 C52 C42  SING N N 16  
WZ5 O02 C12  SING N N 17  
WZ5 C42 O42  SING N N 18  
WZ5 C42 C32  SING N N 19  
WZ5 C32 O32  SING N N 20  
WZ5 C32 C22  SING N N 21  
WZ5 C22 O22  SING N N 22  
WZ5 C22 C12  SING N N 23  
WZ5 C12 O63  SING N N 24  
WZ5 O63 C63  SING N N 25  
WZ5 C63 C53  SING N N 26  
WZ5 C53 C43  SING N N 27  
WZ5 C53 O53  SING N N 28  
WZ5 C43 O43  SING N N 29  
WZ5 C43 C33  SING N N 30  
WZ5 O53 C13  SING N N 31  
WZ5 C13 O13  SING N N 32  
WZ5 C13 C23  SING N N 33  
WZ5 O13 C73  SING N N 34  
WZ5 C23 O23  SING N N 35  
WZ5 C23 C33  SING N N 36  
WZ5 C33 O14  SING N N 37  
WZ5 O14 C14  SING N N 38  
WZ5 C14 O04  SING N N 39  
WZ5 C14 C24  SING N N 40  
WZ5 O04 C54  SING N N 41  
WZ5 C54 C64  SING N N 42  
WZ5 C54 C44  SING N N 43  
WZ5 C64 O64  SING N N 44  
WZ5 C44 O44  SING N N 45  
WZ5 C44 C34  SING N N 46  
WZ5 C34 O34  SING N N 47  
WZ5 C34 C24  SING N N 48  
WZ5 C24 O15  SING N N 49  
WZ5 O15 C15  SING N N 50  
WZ5 C15 O55  SING N N 51  
WZ5 C15 C25  SING N N 52  
WZ5 O55 C55  SING N N 53  
WZ5 C55 C65  SING N N 54  
WZ5 C55 C45  SING N N 55  
WZ5 C65 O65  SING N N 56  
WZ5 C45 O45  SING N N 57  
WZ5 C45 C35  SING N N 58  
WZ5 C35 O35  SING N N 59  
WZ5 C35 C25  SING N N 60  
WZ5 C25 N25  SING N N 61  
WZ5 N25 C75  SING N N 62  
WZ5 C75 C85  SING N N 63  
WZ5 C75 O75  DOUB N N 64  
WZ5 O21 HO21 SING N N 65  
WZ5 C21 H21  SING N N 66  
WZ5 C31 H31  SING N N 67  
WZ5 O31 HO31 SING N N 68  
WZ5 C41 H41  SING N N 69  
WZ5 O41 HO41 SING N N 70  
WZ5 C51 H51  SING N N 71  
WZ5 C61 H61  SING N N 72  
WZ5 C61 H61A SING N N 73  
WZ5 O61 HO61 SING N N 74  
WZ5 C11 H11  SING N N 75  
WZ5 C62 H62  SING N N 76  
WZ5 C62 H62A SING N N 77  
WZ5 C52 H52  SING N N 78  
WZ5 C42 H42  SING N N 79  
WZ5 O42 HO42 SING N N 80  
WZ5 C32 H32  SING N N 81  
WZ5 O32 HO32 SING N N 82  
WZ5 C22 H22  SING N N 83  
WZ5 O22 HO22 SING N N 84  
WZ5 C12 H12  SING N N 85  
WZ5 C63 H63  SING N N 86  
WZ5 C63 H63A SING N N 87  
WZ5 C53 H53  SING N N 88  
WZ5 C43 H43  SING N N 89  
WZ5 O43 HO43 SING N N 90  
WZ5 C13 H13  SING N N 91  
WZ5 C73 H73  SING N N 92  
WZ5 C73 H73A SING N N 93  
WZ5 C73 H73B SING N N 94  
WZ5 C23 H23  SING N N 95  
WZ5 O23 HO23 SING N N 96  
WZ5 C33 H33  SING N N 97  
WZ5 C14 H14  SING N N 98  
WZ5 C54 H54  SING N N 99  
WZ5 C64 H64  SING N N 100 
WZ5 C64 H64A SING N N 101 
WZ5 O64 HO64 SING N N 102 
WZ5 C44 H44  SING N N 103 
WZ5 O44 HO44 SING N N 104 
WZ5 C34 H34  SING N N 105 
WZ5 O34 HO34 SING N N 106 
WZ5 C24 H24  SING N N 107 
WZ5 C15 H15  SING N N 108 
WZ5 C55 H55  SING N N 109 
WZ5 C65 H65  SING N N 110 
WZ5 C65 H65A SING N N 111 
WZ5 O65 HO65 SING N N 112 
WZ5 C45 H45  SING N N 113 
WZ5 O45 HO45 SING N N 114 
WZ5 C35 H35  SING N N 115 
WZ5 O35 HO35 SING N N 116 
WZ5 C25 H25  SING N N 117 
WZ5 N25 HN25 SING N N 118 
WZ5 C85 H85  SING N N 119 
WZ5 C85 H85A SING N N 120 
WZ5 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 
WZ5 SMILES           ACDLabs              10.04 O=C(NC5C(O)C(O)C(OC5OC4C(O)C(O)C(OC4OC1C(O)C(OC(OC)C1O)COC2OC(C(O)C(O)C2O)COC3OC(CO)C(O)C(O)C3O)CO)CO)C 
WZ5 InChI            InChI                1.02b 
;InChI=1/C33H57NO26/c1-8(38)34-14-20(44)15(39)9(3-35)54-29(14)60-28-23(47)17(41)11(5-37)56-33(28)59-27-19(43)13(57-30(51-2)26(27)50)7-53-32-25(49)22(46)18(42)12(58-32)6-52-31-24(48)21(45)16(40)10(4-36)55-31/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
;
WZ5 InChIKey         InChI                1.02b RVQCIQKGGOSYRW-KFNCYSSBDE 
WZ5 SMILES_CANONICAL CACTVS               3.341 
CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO[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 
WZ5 SMILES           CACTVS               3.341 CO[CH]1O[CH](CO[CH]2O[CH](CO[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 
WZ5 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)CO[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 
WZ5 SMILES           "OpenEye OEToolkits" 1.5.0 CC(=O)NC1C(C(C(OC1OC2C(C(C(OC2OC3C(C(OC(C3O)OC)COC4C(C(C(C(O4)COC5C(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 
WZ5 "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)-alpha-D-mannopyranosyl-(1->6)]-beta-D-mannopyranoside" 
WZ5 "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,6R)-3,4,5-trihydroxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]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
;
# 
