data_0UK
# 
_chem_comp.id                                    0UK 
_chem_comp.name                                  
"3-[(1R,2R,3R,5R,6S,7R,9Z,12S,13S,14Z,17S,18S,19R)-2,13,18-tris(2-hydroxy-2-oxoethyl)-3,12,17-tris(3-hydroxy-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-1,2,5,6,7,12,17,22-octahydrocorrin-7-yl]propanoic acid" 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C45 H62 N4 O14" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2012-06-19 
_chem_comp.pdbx_modified_date                    2012-10-12 
_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                        882.992 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     0UK 
_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        4FDV 
_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 
0UK C1   C1   C 0 1 N N R 0.156  36.629 13.301 -1.712 -1.899 -0.073 C1   0UK 1   
0UK C2   C2   C 0 1 N N S -0.507 38.038 13.338 -3.161 -2.341 0.186  C2   0UK 2   
0UK C3   C3   C 0 1 N N S -1.469 37.939 14.557 -3.929 -1.007 -0.030 C3   0UK 3   
0UK C4   C4   C 0 1 N N N -1.764 36.446 14.585 -2.891 0.072  0.144  C4   0UK 4   
0UK C5   C5   C 0 1 N N N -2.958 35.742 15.151 -3.174 1.449  0.279  C5   0UK 5   
0UK C6   C6   C 0 1 N N N -2.964 34.383 15.318 -2.181 2.376  0.349  C6   0UK 6   
0UK C7   C7   C 0 1 N N S -4.031 33.443 15.901 -2.335 3.877  0.455  C7   0UK 7   
0UK C8   C8   C 0 1 N N S -3.122 32.399 16.546 -0.873 4.374  0.553  C8   0UK 8   
0UK C9   C9   C 0 1 N N N -1.964 32.485 15.599 -0.059 3.101  0.422  C9   0UK 9   
0UK C10  C10  C 0 1 N N N -0.978 31.413 15.376 1.341  3.099  0.393  C10  0UK 10  
0UK C11  C11  C 0 1 N N N -0.157 31.293 14.287 2.108  2.010  0.205  C11  0UK 11  
0UK C12  C12  C 0 1 N N N 0.882  30.201 14.183 3.624  2.068  0.165  C12  0UK 12  
0UK C13  C13  C 0 1 N N R 1.875  30.724 13.111 4.055  0.680  -0.354 C13  0UK 13  
0UK C14  C14  C 0 1 N N S 1.256  32.043 12.625 2.802  -0.183 -0.237 C14  0UK 14  
0UK C15  C15  C 0 1 N N R 1.395  32.494 11.154 2.855  -1.317 0.756  C15  0UK 15  
0UK C16  C16  C 0 1 N N N 1.258  34.008 11.167 1.567  -2.118 0.645  C16  0UK 16  
0UK C17  C17  C 0 1 N N R 2.133  35.004 10.425 1.439  -3.529 0.151  C17  0UK 17  
0UK C18  C18  C 0 1 N N R 1.831  36.279 11.238 -0.070 -3.860 0.264  C18  0UK 18  
0UK C19  C19  C 0 1 N N R 0.430  36.065 11.876 -0.675 -2.558 0.802  C19  0UK 19  
0UK C20  C20  C 0 1 N N N 1.461  36.527 14.096 -1.392 -2.085 -1.568 C20  0UK 20  
0UK N21  N21  N 0 1 N N N -0.836 35.805 13.996 -1.701 -0.433 0.153  N21  0UK 21  
0UK N22  N22  N 0 1 N N N -1.900 33.619 15.020 -0.872 2.086  0.334  N22  0UK 22  
0UK N23  N23  N 0 1 N N N -0.072 32.109 13.228 1.682  0.731  0.039  N23  0UK 23  
0UK N24  N24  N 0 1 N N N 0.368  34.593 11.857 0.452  -1.626 0.991  N24  0UK 24  
0UK C25  C25  C 0 1 N N N 0.564  39.125 13.428 -3.616 -3.378 -0.849 C25  0UK 25  
0UK C26  C26  C 0 1 N N N -1.400 38.332 12.113 -3.426 -2.853 1.600  C26  0UK 26  
0UK C27  C27  C 0 1 N N N -2.202 39.630 12.274 -4.900 -3.114 1.771  C27  0UK 27  
0UK O28  O28  O 0 1 N N N -3.282 39.625 12.906 -5.351 -3.713 2.885  O28  0UK 28  
0UK O29  O29  O 0 1 N N N -1.754 40.689 11.775 -5.677 -2.784 0.907  O29  0UK 29  
0UK C30  C30  C 0 1 N N N -0.963 38.516 15.902 -4.552 -0.980 -1.423 C30  0UK 30  
0UK C31  C31  C 0 1 N N N -1.071 40.060 15.992 -5.383 0.295  -1.586 C31  0UK 31  
0UK C32  C32  C 0 1 N N N -0.715 40.650 17.357 -6.101 0.262  -2.910 C32  0UK 32  
0UK O33  O33  O 0 1 N N N -0.639 39.894 18.339 -6.894 1.283  -3.269 O33  0UK 33  
0UK O34  O34  O 0 1 N N N -0.509 41.889 17.500 -5.964 -0.685 -3.648 O34  0UK 34  
0UK C35  C35  C 0 1 N N N -4.179 36.558 15.539 -4.627 1.859  0.350  C35  0UK 35  
0UK C36  C36  C 0 1 N N N -4.958 34.095 16.946 -3.000 4.476  -0.789 C36  0UK 36  
0UK C37  C37  C 0 1 N N N -4.824 32.703 14.798 -3.092 4.289  1.723  C37  0UK 37  
0UK C38  C38  C 0 1 N N N -5.562 33.606 13.837 -2.389 3.728  2.932  C38  0UK 38  
0UK O39  O39  O 0 1 N N N -4.946 34.072 12.840 -1.463 2.964  2.793  O39  0UK 39  
0UK O40  O40  O 0 1 N N N -6.766 33.831 14.091 -2.791 4.077  4.165  O40  0UK 40  
0UK C41  C41  C 0 1 N N N -2.718 32.793 17.975 -0.553 5.332  -0.598 C41  0UK 41  
0UK C42  C42  C 0 1 N N N -1.909 31.754 18.755 0.812  5.981  -0.356 C42  0UK 42  
0UK C43  C43  C 0 1 N N N -1.678 32.190 20.205 1.093  6.981  -1.448 C43  0UK 43  
0UK O44  O44  O 0 1 N N N -1.786 33.380 20.573 0.285  7.156  -2.330 O44  0UK 44  
0UK O45  O45  O 0 1 N N N -1.389 31.315 21.017 2.241  7.677  -1.442 O45  0UK 45  
0UK C46  C46  C 0 1 N N N 0.233  28.806 14.127 4.188  2.334  1.560  C46  0UK 46  
0UK C47  C47  C 0 1 N N N 1.723  30.357 15.430 4.094  3.154  -0.808 C47  0UK 47  
0UK C48  C48  C 0 1 N N N 2.655  29.882 12.074 5.282  0.162  0.376  C48  0UK 48  
0UK C49  C49  C 0 1 N N N 2.819  28.371 12.249 6.504  0.989  -0.029 C49  0UK 49  
0UK C50  C50  C 0 1 N N N 1.686  27.752 11.459 7.734  0.427  0.638  C50  0UK 50  
0UK O51  O51  O 0 1 N N N 1.026  28.512 10.712 7.642  -0.536 1.362  O51  0UK 51  
0UK O52  O52  O 0 1 N N N 1.414  26.535 11.587 8.931  0.997  0.427  O52  0UK 52  
0UK C54  C54  C 0 1 N N N 1.606  35.101 8.988  2.264  -4.488 1.010  C54  0UK 53  
0UK C55  C55  C 0 1 N N N 3.627  34.619 10.357 1.879  -3.629 -1.313 C55  0UK 54  
0UK C56  C56  C 0 1 N N N 4.340  34.278 11.675 3.384  -3.370 -1.411 C56  0UK 55  
0UK C57  C57  C 0 1 N N N 5.242  33.052 11.583 3.844  -3.613 -2.826 C57  0UK 56  
0UK O58  O58  O 0 1 N N N 6.295  33.078 12.244 5.136  -3.446 -3.149 O58  0UK 57  
0UK O59  O59  O 0 1 N N N 4.919  32.042 10.899 3.049  -3.957 -3.669 O59  0UK 58  
0UK C60  C60  C 0 1 N N N 1.929  37.586 10.433 -0.283 -4.994 1.282  C60  0UK 59  
0UK C61  C61  C 0 1 N N N 3.354  38.081 10.196 0.212  -6.292 0.699  C61  0UK 60  
0UK O62  O62  O 0 1 N N N 4.158  38.131 11.144 0.284  -7.389 1.469  O62  0UK 61  
0UK O63  O63  O 0 1 N N N 3.678  38.440 9.040  0.543  -6.346 -0.462 O63  0UK 62  
0UK C64  C64  C 0 1 N N N 0.435  31.838 10.164 2.910  -0.796 2.197  C64  0UK 63  
0UK H3   H3   H 0 1 N N N -2.398 38.466 14.294 -4.705 -0.918 0.735  H3   0UK 64  
0UK H8   H8   H 0 1 N N N -3.587 31.402 16.528 -0.701 4.860  1.513  H8   0UK 65  
0UK H10  H10  H 0 1 N N N -0.896 30.654 16.140 1.839  4.064  0.511  H10  0UK 66  
0UK H13  H13  H 0 1 N N N 2.695  31.093 13.744 4.310  0.789  -1.428 H13  0UK 67  
0UK H14  H14  H 0 1 N N N 1.831  32.804 13.173 2.610  -0.607 -1.248 H14  0UK 68  
0UK H15  H15  H 0 1 N N N 2.419  32.254 10.832 3.694  -1.974 0.559  H15  0UK 69  
0UK H18  H18  H 0 1 N N N 2.563  36.334 12.057 -0.459 -4.174 -0.700 H18  0UK 70  
0UK H19  H19  H 0 1 N N N -0.329 36.472 11.191 -1.058 -2.742 1.819  H19  0UK 71  
0UK H20  H20  H 0 1 N N N 1.304  36.918 15.112 -2.074 -1.478 -2.164 H20  0UK 72  
0UK H20A H20A H 0 0 N N N 1.774  35.474 14.153 -0.365 -1.774 -1.762 H20A 0UK 73  
0UK H20B H20B H 0 0 N N N 2.243  37.115 13.594 -1.510 -3.134 -1.838 H20B 0UK 74  
0UK HN23 HN23 H 0 0 N N N -0.754 31.837 12.549 0.756  0.452  0.093  HN23 0UK 75  
0UK H25  H25  H 0 1 N N N 0.082  40.114 13.453 -2.939 -4.232 -0.829 H25  0UK 76  
0UK H25A H25A H 0 0 N N N 1.156  38.982 14.344 -4.627 -3.709 -0.611 H25A 0UK 77  
0UK H25B H25B H 0 0 N N N 1.225  39.062 12.551 -3.605 -2.929 -1.842 H25B 0UK 78  
0UK H26  H26  H 0 1 N N N -0.761 38.420 11.222 -2.872 -3.778 1.761  H26  0UK 79  
0UK H26A H26A H 0 0 N N N -2.103 37.496 11.979 -3.102 -2.105 2.324  H26A 0UK 80  
0UK HO28 HO28 H 0 0 N N N -3.645 40.503 12.921 -6.304 -3.859 2.950  HO28 0UK 81  
0UK H30  H30  H 0 1 N N N -1.559 38.077 16.716 -3.763 -0.998 -2.175 H30  0UK 82  
0UK H30A H30A H 0 0 N N N 0.093  38.233 16.027 -5.195 -1.850 -1.551 H30A 0UK 83  
0UK H31  H31  H 0 1 N N N -0.392 40.495 15.244 -6.112 0.360  -0.778 H31  0UK 84  
0UK H31A H31A H 0 0 N N N -2.107 40.345 15.756 -4.725 1.164  -1.551 H31A 0UK 85  
0UK HO33 HO33 H 0 0 N N N -0.420 40.400 19.113 -7.334 1.217  -4.128 HO33 0UK 86  
0UK H35  H35  H 0 1 N N N -4.957 35.889 15.934 -5.254 0.968  0.393  H35  0UK 87  
0UK H35A H35A H 0 0 N N N -3.900 37.291 16.310 -4.791 2.462  1.244  H35A 0UK 88  
0UK H35B H35B H 0 0 N N N -4.564 37.085 14.654 -4.885 2.442  -0.534 H35B 0UK 89  
0UK H36  H36  H 0 1 N N N -5.685 33.352 17.306 -4.027 4.118  -0.860 H36  0UK 90  
0UK H36A H36A H 0 0 N N N -4.357 34.460 17.792 -2.999 5.563  -0.713 H36A 0UK 91  
0UK H36B H36B H 0 0 N N N -5.493 34.939 16.486 -2.447 4.173  -1.678 H36B 0UK 92  
0UK H37  H37  H 0 1 N N N -4.116 32.092 14.219 -3.121 5.376  1.792  H37  0UK 93  
0UK H37A H37A H 0 0 N N N -5.560 32.048 15.286 -4.109 3.900  1.682  H37A 0UK 94  
0UK HO40 HO40 H 0 0 N N N -7.130 34.399 13.422 -2.309 3.692  4.909  HO40 0UK 95  
0UK H41  H41  H 0 1 N N N -2.115 33.711 17.913 -0.530 4.778  -1.537 H41  0UK 96  
0UK H41A H41A H 0 0 N N N -3.639 32.996 18.541 -1.319 6.105  -0.651 H41A 0UK 97  
0UK H42  H42  H 0 1 N N N -2.457 30.800 18.752 0.806  6.489  0.609  H42  0UK 98  
0UK H42A H42A H 0 0 N N N -0.934 31.619 18.264 1.585  5.213  -0.358 H42A 0UK 99  
0UK HO45 HO45 H 0 0 N N N -1.281 31.704 21.877 2.376  8.307  -2.163 HO45 0UK 100 
0UK H46  H46  H 0 1 N N N 1.018  28.039 14.052 3.949  1.495  2.214  H46  0UK 101 
0UK H46A H46A H 0 0 N N N -0.357 28.639 15.041 5.270  2.450  1.498  H46A 0UK 102 
0UK H46B H46B H 0 0 N N N -0.426 28.743 13.249 3.747  3.246  1.963  H46B 0UK 103 
0UK H47  H47  H 0 1 N N N 2.514  29.593 15.437 3.733  4.125  -0.470 H47  0UK 104 
0UK H47A H47A H 0 0 N N N 2.180  31.358 15.441 5.184  3.164  -0.842 H47A 0UK 105 
0UK H47B H47B H 0 0 N N N 1.087  30.234 16.319 3.701  2.945  -1.803 H47B 0UK 106 
0UK H48  H48  H 0 1 N N N 2.152  30.032 11.107 5.127  0.244  1.452  H48  0UK 107 
0UK H48A H48A H 0 0 N N N 3.670  30.304 12.029 5.447  -0.883 0.112  H48A 0UK 108 
0UK H49  H49  H 0 1 N N N 3.790  28.040 11.853 6.627  0.950  -1.111 H49  0UK 109 
0UK H49A H49A H 0 0 N N N 2.743  28.096 13.311 6.362  2.023  0.284  H49A 0UK 110 
0UK HO52 HO52 H 0 0 N N N 0.664  26.319 11.046 9.690  0.602  0.876  HO52 0UK 111 
0UK H54  H54  H 0 1 N N N 2.219  35.816 8.420  1.856  -4.514 2.020  H54  0UK 112 
0UK H54A H54A H 0 0 N N N 1.660  34.112 8.510  2.226  -5.488 0.577  H54A 0UK 113 
0UK H54B H54B H 0 0 N N N 0.561  35.444 9.003  3.299  -4.146 1.045  H54B 0UK 114 
0UK H55  H55  H 0 1 N N N 3.710  33.739 9.702  1.656  -4.627 -1.692 H55  0UK 115 
0UK H55A H55A H 0 0 N N N 4.164  35.465 9.903  1.343  -2.887 -1.905 H55A 0UK 116 
0UK H56  H56  H 0 1 N N N 4.955  35.141 11.971 3.594  -2.338 -1.133 H56  0UK 117 
0UK H56A H56A H 0 0 N N N 3.577  34.091 12.445 3.913  -4.043 -0.737 H56A 0UK 118 
0UK HO58 HO58 H 0 0 N N N 6.758  32.256 12.135 5.383  -3.613 -4.069 HO58 0UK 119 
0UK H60  H60  H 0 1 N N N 1.455  37.422 9.454  0.270  -4.771 2.195  H60  0UK 120 
0UK H60A H60A H 0 0 N N N 1.381  38.368 10.979 -1.345 -5.080 1.513  H60A 0UK 121 
0UK HO62 HO62 H 0 0 N N N 4.991  38.467 10.836 0.608  -8.199 1.051  HO62 0UK 122 
0UK H64  H64  H 0 1 N N N 0.623  32.232 9.154  2.005  -0.228 2.413  H64  0UK 123 
0UK H64A H64A H 0 0 N N N 0.592  30.749 10.168 2.984  -1.638 2.886  H64A 0UK 124 
0UK H64B H64B H 0 0 N N N -0.602 32.060 10.457 3.781  -0.151 2.317  H64B 0UK 125 
# 
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 
0UK C19 C1   SING N N 1   
0UK C1  C2   SING N N 2   
0UK C1  N21  SING N N 3   
0UK C1  C20  SING N N 4   
0UK C26 C2   SING N N 5   
0UK C2  C25  SING N N 6   
0UK C2  C3   SING N N 7   
0UK C3  C4   SING N N 8   
0UK C3  C30  SING N N 9   
0UK C3  H3   SING N N 10  
0UK N21 C4   DOUB N N 11  
0UK C4  C5   SING N N 12  
0UK C5  C6   DOUB N Z 13  
0UK C5  C35  SING N N 14  
0UK N22 C6   SING N N 15  
0UK C6  C7   SING N N 16  
0UK C37 C7   SING N N 17  
0UK C7  C8   SING N N 18  
0UK C7  C36  SING N N 19  
0UK C9  C8   SING N N 20  
0UK C8  C41  SING N N 21  
0UK C8  H8   SING N N 22  
0UK N22 C9   DOUB N N 23  
0UK C10 C9   SING N N 24  
0UK C11 C10  DOUB N Z 25  
0UK C10 H10  SING N N 26  
0UK N23 C11  SING N N 27  
0UK C12 C11  SING N N 28  
0UK C13 C12  SING N N 29  
0UK C46 C12  SING N N 30  
0UK C12 C47  SING N N 31  
0UK C48 C13  SING N N 32  
0UK C14 C13  SING N N 33  
0UK C13 H13  SING N N 34  
0UK C15 C14  SING N N 35  
0UK C14 N23  SING N N 36  
0UK C14 H14  SING N N 37  
0UK C64 C15  SING N N 38  
0UK C15 C16  SING N N 39  
0UK C15 H15  SING N N 40  
0UK C17 C16  SING N N 41  
0UK C16 N24  DOUB N N 42  
0UK C54 C17  SING N N 43  
0UK C55 C17  SING N N 44  
0UK C17 C18  SING N N 45  
0UK C60 C18  SING N N 46  
0UK C18 C19  SING N N 47  
0UK C18 H18  SING N N 48  
0UK N24 C19  SING N N 49  
0UK C19 H19  SING N N 50  
0UK C20 H20  SING N N 51  
0UK C20 H20A SING N N 52  
0UK C20 H20B SING N N 53  
0UK N23 HN23 SING N N 54  
0UK C25 H25  SING N N 55  
0UK C25 H25A SING N N 56  
0UK C25 H25B SING N N 57  
0UK C26 C27  SING N N 58  
0UK C26 H26  SING N N 59  
0UK C26 H26A SING N N 60  
0UK O29 C27  DOUB N N 61  
0UK C27 O28  SING N N 62  
0UK O28 HO28 SING N N 63  
0UK C30 C31  SING N N 64  
0UK C30 H30  SING N N 65  
0UK C30 H30A SING N N 66  
0UK C31 C32  SING N N 67  
0UK C31 H31  SING N N 68  
0UK C31 H31A SING N N 69  
0UK C32 O34  DOUB N N 70  
0UK C32 O33  SING N N 71  
0UK O33 HO33 SING N N 72  
0UK C35 H35  SING N N 73  
0UK C35 H35A SING N N 74  
0UK C35 H35B SING N N 75  
0UK C36 H36  SING N N 76  
0UK C36 H36A SING N N 77  
0UK C36 H36B SING N N 78  
0UK C38 C37  SING N N 79  
0UK C37 H37  SING N N 80  
0UK C37 H37A SING N N 81  
0UK O39 C38  DOUB N N 82  
0UK C38 O40  SING N N 83  
0UK O40 HO40 SING N N 84  
0UK C41 C42  SING N N 85  
0UK C41 H41  SING N N 86  
0UK C41 H41A SING N N 87  
0UK C42 C43  SING N N 88  
0UK C42 H42  SING N N 89  
0UK C42 H42A SING N N 90  
0UK C43 O44  DOUB N N 91  
0UK C43 O45  SING N N 92  
0UK O45 HO45 SING N N 93  
0UK C46 H46  SING N N 94  
0UK C46 H46A SING N N 95  
0UK C46 H46B SING N N 96  
0UK C47 H47  SING N N 97  
0UK C47 H47A SING N N 98  
0UK C47 H47B SING N N 99  
0UK C48 C49  SING N N 100 
0UK C48 H48  SING N N 101 
0UK C48 H48A SING N N 102 
0UK C50 C49  SING N N 103 
0UK C49 H49  SING N N 104 
0UK C49 H49A SING N N 105 
0UK O51 C50  DOUB N N 106 
0UK C50 O52  SING N N 107 
0UK O52 HO52 SING N N 108 
0UK C54 H54  SING N N 109 
0UK C54 H54A SING N N 110 
0UK C54 H54B SING N N 111 
0UK C55 C56  SING N N 112 
0UK C55 H55  SING N N 113 
0UK C55 H55A SING N N 114 
0UK C57 C56  SING N N 115 
0UK C56 H56  SING N N 116 
0UK C56 H56A SING N N 117 
0UK O59 C57  DOUB N N 118 
0UK C57 O58  SING N N 119 
0UK O58 HO58 SING N N 120 
0UK C61 C60  SING N N 121 
0UK C60 H60  SING N N 122 
0UK C60 H60A SING N N 123 
0UK O63 C61  DOUB N N 124 
0UK C61 O62  SING N N 125 
0UK O62 HO62 SING N N 126 
0UK C64 H64  SING N N 127 
0UK C64 H64A SING N N 128 
0UK C64 H64B SING N N 129 
# 
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 
0UK InChI            InChI                1.03  
;InChI=1S/C45H62N4O14/c1-21-36-24(10-13-30(52)53)41(3,4)28(47-36)18-27-23(9-12-29(50)51)43(6,19-34(60)61)39(46-27)22(2)37-25(11-14-31(54)55)44(7,20-35(62)63)45(8,49-37)40-26(17-33(58)59)42(5,38(21)48-40)16-15-32(56)57/h18,21,23-26,36,40,47H,9-17,19-20H2,1-8H3,(H,50,51)(H,52,53)(H,54,55)(H,56,57)(H,58,59)(H,60,61)(H,62,63)/b28-18-,39-22-/t21-,23-,24+,25-,26+,36-,40-,42-,43+,44+,45+/m1/s1
;
0UK InChIKey         InChI                1.03  YHLYHOGUCOLFRO-ZWMNGWNLSA-N 
0UK SMILES_CANONICAL CACTVS               3.370 "C[C@@H]1[C@H]2NC(=C\C3=NC(=C(C)/C4=N[C@@](C)([C@@H]5N=C1[C@](C)(CCC(O)=O)[C@H]5CC(O)=O)[C@@](C)(CC(O)=O)[C@@H]4CCC(O)=O)\[C@@](C)(CC(O)=O)[C@@H]3CCC(O)=O)/C(C)(C)[C@H]2CCC(O)=O" 
0UK SMILES           CACTVS               3.370 "C[CH]1[CH]2NC(=CC3=NC(=C(C)C4=N[C](C)([CH]5N=C1[C](C)(CCC(O)=O)[CH]5CC(O)=O)[C](C)(CC(O)=O)[CH]4CCC(O)=O)[C](C)(CC(O)=O)[CH]3CCC(O)=O)C(C)(C)[CH]2CCC(O)=O" 
0UK SMILES_CANONICAL "OpenEye OEToolkits" 1.7.6 "C[C@@H]1[C@@H]2[C@@H](C(/C(=C/C3=N/C(=C(\C4=N[C@@]([C@H]5[C@@H]([C@@](C1=N5)(C)CCC(=O)O)CC(=O)O)([C@@]([C@@H]4CCC(=O)O)(C)CC(=O)O)C)/C)/[C@@]([C@@H]3CCC(=O)O)(C)CC(=O)O)/N2)(C)C)CCC(=O)O" 
0UK SMILES           "OpenEye OEToolkits" 1.7.6 "CC1C2C(C(C(=CC3=NC(=C(C4=NC(C5C(C(C1=N5)(C)CCC(=O)O)CC(=O)O)(C(C4CCC(=O)O)(C)CC(=O)O)C)C)C(C3CCC(=O)O)(C)CC(=O)O)N2)(C)C)CCC(=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 
0UK "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.7.6 
"3-[(1R,2R,3R,5R,6S,7R,9Z,12S,13S,14Z,17S,18S,19R)-2,13,18-tris(2-hydroxy-2-oxoethyl)-3,12,17-tris(3-hydroxy-3-oxopropyl)-3,5,8,8,13,15,18,19-octamethyl-1,2,5,6,7,12,17,22-octahydrocorrin-7-yl]propanoic 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 
0UK "Create component"   2012-06-19 RCSB 
0UK "Other modification" 2012-10-09 RCSB 
0UK "Initial release"    2012-10-12 RCSB 
# 
