data_A1BEZ
# 
_chem_comp.id                                    A1BEZ 
_chem_comp.name                                  ethynyl-N-ethylpropiolamide-cobalamin 
_chem_comp.type                                  non-polymer 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C67 H95 Co N14 O15 P" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         "[(2~{R},3~{S},4~{R},5~{S})-5-(5,6-dimethylbenzimidazol-1-yl)-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] [(2~{R})-1-[3-[(3~{R},4~{R},5~{R},9~{S},14~{S},15~{S},19~{S},20~{S},21~{R},22~{R})-4,15,20-tris(2-azanyl-2-oxidanylidene-ethyl)-9,14,19-tris(3-azanyl-3-oxidanylidene-propyl)-1-[3-(ethylamino)-3-oxidanylidene-prop-1-ynyl]-5,7,10,10,15,17,20,21-octamethyl-22-aza-2,23,24-triazonia-1$l^{5}-cobaltaoctacyclo[11.9.1.1^{1,8}.0^{2,6}.0^{3,21}.0^{16,23}.0^{18,22}.0^{11,24}]tetracosa-2(6),7,11(24),12,16(23),17-hexaen-5-yl]propanoylamino]propan-2-yl] hydrogen phosphate" 
_chem_comp.pdbx_formal_charge                    2 
_chem_comp.pdbx_initial_date                     2024-11-01 
_chem_comp.pdbx_modified_date                    2025-09-19 
_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                        1426.463 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     A1BEZ 
_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        9E5R 
_chem_comp.pdbx_subcomponent_list                ? 
_chem_comp.pdbx_processing_site                  RCSB 
_chem_comp.pdbx_pcm                              ? 
# 
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.pdbx_n_terminal_atom_flag 
_chem_comp_atom.pdbx_backbone_atom_flag 
_chem_comp_atom.pdbx_c_terminal_atom_flag 
_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 
A1BEZ C4   C1  C  0 1 N N N N N N 13.347 4.233  33.693 -1.949  -2.806 0.851  C4   A1BEZ 1   
A1BEZ C3   C2  C  0 1 N N S N N N 13.519 5.388  34.620 -1.223  -3.357 2.038  C3   A1BEZ 2   
A1BEZ C2   C3  C  0 1 N N S N N N 12.022 5.581  34.940 -1.185  -2.181 3.037  C2   A1BEZ 3   
A1BEZ C1   C4  C  0 1 N N R N N N 11.277 5.265  33.568 -1.448  -0.980 2.118  C1   A1BEZ 4   
A1BEZ NB1  N1  N  0 1 Y N N N N N 11.026 5.242  28.359 7.917   -1.603 -0.995 NB1  A1BEZ 5   
A1BEZ CB2  C5  C  0 1 Y N N N N N 10.709 4.418  29.388 7.014   -2.332 -0.286 CB2  A1BEZ 6   
A1BEZ NB3  N2  N  0 1 Y N N N N N 11.725 4.235  30.217 7.618   -3.006 0.649  NB3  A1BEZ 7   
A1BEZ C01  C6  C  0 1 N N N N N N 12.424 -0.160 34.926 -7.332  -1.224 1.689  C01  A1BEZ 8   
A1BEZ C02  C7  C  0 1 N N N N N N 14.312 -2.049 36.340 -10.040 -3.501 0.547  C02  A1BEZ 9   
A1BEZ C04  C8  C  0 1 N N N N N N 13.241 -2.577 35.354 -9.416  -2.470 1.489  C04  A1BEZ 10  
A1BEZ C10  C9  C  0 1 N N N N N N 12.677 0.839  29.861 -4.151  0.392  -2.781 C10  A1BEZ 11  
A1BEZ C11  C10 C  0 1 N N N N N N 11.305 0.864  30.004 -4.089  1.447  -1.880 C11  A1BEZ 12  
A1BEZ C12  C11 C  0 1 N N N N N N 10.400 -0.136 29.333 -4.510  2.838  -2.303 C12  A1BEZ 13  
A1BEZ C13  C12 C  0 1 N N S N N N 9.042  0.630  29.388 -4.128  3.683  -1.098 C13  A1BEZ 14  
A1BEZ C14  C13 C  0 1 N N N N N N 9.247  1.543  30.596 -3.595  2.645  -0.122 C14  A1BEZ 15  
A1BEZ C15  C14 C  0 1 N N N N N N 8.234  2.243  31.244 -3.099  3.110  1.069  C15  A1BEZ 16  
A1BEZ C16  C15 C  0 1 N N N N N N 8.568  3.283  32.190 -2.678  2.144  1.991  C16  A1BEZ 17  
A1BEZ C17  C16 C  0 1 N N R N N N 7.591  4.132  33.047 -2.201  2.319  3.402  C17  A1BEZ 18  
A1BEZ C18  C17 C  0 1 N N R N N N 8.573  5.242  33.482 -1.601  0.942  3.757  C18  A1BEZ 19  
A1BEZ C19  C18 C  0 1 N N R N N N 9.907  4.500  33.627 -2.357  0.045  2.769  C19  A1BEZ 20  
A1BEZ C1L  C19 C  0 1 N N N N N N 11.618 1.814  33.271 -4.948  -0.602 0.841  C1L  A1BEZ 21  
A1BEZ C20  C20 C  0 1 N N N N N N 11.156 6.444  32.596 -0.143  -0.350 1.641  C20  A1BEZ 22  
A1BEZ C25  C21 C  0 1 N N N N N N 11.743 6.996  35.470 0.194   -2.068 3.680  C25  A1BEZ 23  
A1BEZ C26  C22 C  0 1 N N N N N N 11.737 4.484  36.014 -2.269  -2.314 4.096  C26  A1BEZ 24  
A1BEZ C27  C23 C  0 1 N N N N N N 12.653 4.458  37.236 -1.942  -3.470 5.007  C27  A1BEZ 25  
A1BEZ C2L  C24 C  0 1 N N N N N N 11.863 0.971  34.093 -6.022  -0.882 1.223  C2L  A1BEZ 26  
A1BEZ C30  C25 C  0 1 N N N N N N 14.339 6.534  33.983 0.195   -3.763 1.635  C30  A1BEZ 27  
A1BEZ C31  C26 C  0 1 N N N N N N 15.241 7.209  35.018 0.132   -4.948 0.671  C31  A1BEZ 28  
A1BEZ C32  C27 C  0 1 N N N N N N 16.226 8.151  34.366 1.524   -5.468 0.421  C32  A1BEZ 29  
A1BEZ C35  C28 C  0 1 N N N N N N 15.581 3.428  34.480 -2.046  -4.824 -0.602 C35  A1BEZ 30  
A1BEZ C36  C29 C  0 1 N N N N N N 16.997 1.774  32.013 -1.935  -3.743 -3.270 C36  A1BEZ 31  
A1BEZ C37  C30 C  0 1 N N N N N N 15.206 0.167  32.810 -4.262  -4.215 -2.459 C37  A1BEZ 32  
A1BEZ C38  C31 C  0 1 N N N N N N 16.139 -0.948 32.370 -4.782  -4.625 -3.813 C38  A1BEZ 33  
A1BEZ C41  C32 C  0 1 N N N N N N 15.845 2.193  29.517 -2.793  -1.675 -4.624 C41  A1BEZ 34  
A1BEZ C42  C33 C  0 1 N N N N N N 15.090 2.347  28.236 -3.326  -0.459 -5.386 C42  A1BEZ 35  
A1BEZ C43  C34 C  0 1 N N N N N N 15.822 3.279  27.352 -2.441  -0.185 -6.575 C43  A1BEZ 36  
A1BEZ C46  C35 C  0 1 N N N N N N 10.330 -1.367 30.264 -6.013  2.889  -2.558 C46  A1BEZ 37  
A1BEZ C47  C36 C  0 1 N N N N N N 10.936 -0.538 27.962 -3.740  3.273  -3.547 C47  A1BEZ 38  
A1BEZ C48  C37 C  0 1 N N N N N N 8.725  1.476  28.137 -3.022  4.674  -1.457 C48  A1BEZ 39  
A1BEZ C49  C38 C  0 1 N N N N N N 7.709  0.937  27.118 -3.648  5.991  -1.922 C49  A1BEZ 40  
A1BEZ C5   C39 C  0 1 N N N N N N 14.416 3.285  33.514 -2.289  -3.371 -0.320 C5   A1BEZ 41  
A1BEZ C50  C40 C  0 1 N N N N N N 7.022  -0.318 27.587 -2.558  6.951  -2.323 C50  A1BEZ 42  
A1BEZ C53  C41 C  0 1 N N N N N N 6.798  1.798  31.010 -3.005  4.579  1.363  C53  A1BEZ 43  
A1BEZ C54  C42 C  0 1 N N N N N N 7.055  3.310  34.258 -3.374  2.652  4.319  C54  A1BEZ 44  
A1BEZ C55  C43 C  0 1 N N N N N N 6.401  4.799  32.346 -1.137  3.407  3.474  C55  A1BEZ 45  
A1BEZ C56  C44 C  0 1 N N N N N N 6.805  5.569  31.120 -0.024  3.100  2.469  C56  A1BEZ 46  
A1BEZ C57  C45 C  0 1 N N N N N N 5.574  5.790  30.293 1.081   4.114  2.618  C57  A1BEZ 47  
A1BEZ C6   C46 C  0 1 N N N N N N 14.440 2.514  32.377 -2.853  -2.512 -1.287 C6   A1BEZ 48  
A1BEZ C60  C47 C  0 1 N N N N N N 8.114  6.086  34.693 -1.932  0.558  5.197  C60  A1BEZ 49  
A1BEZ C61  C48 C  0 1 N N N N N N 8.117  7.594  34.443 -1.160  1.443  6.142  C61  A1BEZ 50  
A1BEZ C7   C49 C  0 1 N N S N N N 15.497 1.465  31.989 -3.184  -3.147 -2.630 C7   A1BEZ 51  
A1BEZ C8   C50 C  0 1 N N S N N N 15.106 1.279  30.515 -3.710  -1.976 -3.443 C8   A1BEZ 52  
A1BEZ C9   C51 C  0 1 N N N N N N 13.618 1.617  30.522 -3.676  -0.849 -2.434 C9   A1BEZ 53  
A1BEZ CB4  C52 C  0 1 Y N N N N N 14.108 5.209  30.145 10.042  -3.202 1.354  CB4  A1BEZ 54  
A1BEZ CB5  C53 C  0 1 Y N N N N N 14.949 6.040  29.388 11.300  -2.758 1.058  CB5  A1BEZ 55  
A1BEZ CB6  C54 C  0 1 Y N N N N N 14.484 6.655  28.202 11.508  -1.865 0.016  CB6  A1BEZ 56  
A1BEZ CB7  C55 C  0 1 Y N N N N N 13.167 6.449  27.771 10.447  -1.412 -0.738 CB7  A1BEZ 57  
A1BEZ CB8  C56 C  0 1 Y N N N N N 12.341 5.624  28.549 9.162   -1.853 -0.452 CB8  A1BEZ 58  
A1BEZ CB9  C57 C  0 1 Y N N N N N 12.787 4.985  29.706 8.951   -2.756 0.603  CB9  A1BEZ 59  
A1BEZ CR1  C58 C  0 1 N N S N N N 10.149 5.688  27.298 7.625   -0.722 -2.128 CR1  A1BEZ 60  
A1BEZ CR2  C59 C  0 1 N N R N N N 9.430  6.958  27.786 7.470   0.730  -1.637 CR2  A1BEZ 61  
A1BEZ CR3  C60 C  0 1 N N S N N N 8.150  6.928  26.975 6.005   1.094  -1.982 CR3  A1BEZ 62  
A1BEZ CR4  C61 C  0 1 N N R N N N 7.880  5.432  26.796 5.347   -0.303 -2.117 CR4  A1BEZ 63  
A1BEZ CR5  C62 C  0 1 N N N N N N 7.343  5.006  25.477 4.111   -0.232 -3.015 CR5  A1BEZ 64  
A1BEZ N01  N3  N  0 1 N N N N N N 12.655 -1.568 34.447 -8.076  -2.121 1.012  N01  A1BEZ 65  
A1BEZ N21  N4  N  0 1 N N N N N N 12.254 4.310  32.992 -2.243  -1.473 0.995  N21  A1BEZ 66  
A1BEZ N22  N5  N  0 1 N N N N N N 13.361 2.496  31.478 -3.202  -1.234 -1.237 N22  A1BEZ 67  
A1BEZ N23  N6  N  0 1 N N N N N N 10.629 1.751  30.733 -3.665  1.406  -0.624 N23  A1BEZ 68  
A1BEZ N24  N7  N  0 1 N N N N N N 9.821  3.631  32.437 -2.742  0.884  1.629  N24  A1BEZ 69  
A1BEZ N29  N8  N  0 1 N N N N N N 13.290 3.330  37.505 -2.767  -3.778 6.027  N29  A1BEZ 70  
A1BEZ N34  N9  N  0 1 N N N N N N 15.895 9.451  34.475 1.714   -6.517 -0.403 N34  A1BEZ 71  
A1BEZ N40  N10 N  0 1 N N N N N N 17.125 -1.339 33.177 -5.814  -5.486 -3.905 N40  A1BEZ 72  
A1BEZ N45  N11 N  0 1 N N N N N N 17.113 3.453  27.608 -2.719  0.846  -7.398 N45  A1BEZ 73  
A1BEZ N52  N12 N  0 1 N N N N N N 7.678  -1.439 27.323 -2.868  8.215  -2.672 N52  A1BEZ 74  
A1BEZ N59  N13 N  0 1 N N N N N N 5.052  7.002  30.254 2.062   4.182  1.696  N59  A1BEZ 75  
A1BEZ N63  N14 N  0 1 N N N N N N 8.119  8.337  35.543 -1.447  1.435  7.459  N63  A1BEZ 76  
A1BEZ O01  O1  O  0 1 N N N N N N 12.718 0.475  36.191 -7.774  -0.705 2.697  O01  A1BEZ 77  
A1BEZ O28  O2  O  0 1 N N N N N N 12.789 5.442  37.998 -0.937  -4.122 4.821  O28  A1BEZ 78  
A1BEZ O33  O3  O  0 1 N N N N N N 17.216 7.716  33.788 2.474   -4.941 0.962  O33  A1BEZ 79  
A1BEZ O39  O4  O  0 1 N N N N N N 15.974 -1.486 31.253 -4.271  -4.181 -4.819 O39  A1BEZ 80  
A1BEZ O44  O5  O  0 1 N N N N N N 15.223 3.837  26.416 -1.480  -0.891 -6.792 O44  A1BEZ 81  
A1BEZ O51  O6  O  0 1 N N N N N N 5.914  -0.279 28.184 -1.401  6.586  -2.333 O51  A1BEZ 82  
A1BEZ O58  O7  O  0 1 N N N N N N 5.083  4.848  29.674 1.087   4.869  3.567  O58  A1BEZ 83  
A1BEZ O62  O8  O  0 1 N N N N N N 8.134  8.131  33.309 -0.282  2.163  5.717  O62  A1BEZ 84  
A1BEZ OP2  O9  O  0 1 N N N N N N 7.069  7.440  27.752 5.402   1.841  -0.924 OP2  A1BEZ 85  
A1BEZ OP3  O10 O  0 1 N N N N N N 5.105  8.738  28.240 4.494   3.976  0.313  OP3  A1BEZ 86  
A1BEZ OP4  O11 O  0 1 N N N N N N 5.840  8.409  25.823 3.573   3.264  -1.926 OP4  A1BEZ 87  
A1BEZ OP5  O12 O  0 1 N N N N N N 7.033  9.997  27.518 5.903   4.234  -1.891 OP5  A1BEZ 88  
A1BEZ OR6  O13 O  0 1 N N N N N N 9.139  4.731  27.025 6.378   -1.103 -2.734 OR6  A1BEZ 89  
A1BEZ OR7  O14 O  0 1 N N N N N N 9.064  6.761  29.155 7.685   0.806  -0.226 OR7  A1BEZ 90  
A1BEZ OR8  O15 O  0 1 N N N N N N 6.992  3.614  25.462 3.480   -1.513 -3.059 OR8  A1BEZ 91  
A1BEZ P1   P1  P  0 1 N N N N N N 6.297  8.740  27.207 4.816   3.327  -1.125 P1   A1BEZ 92  
A1BEZ CB10 C63 C  0 0 N N N N N N 16.387 6.293  29.807 12.472  -3.243 1.871  CB10 A1BEZ 93  
A1BEZ CB11 C64 C  0 0 N N N N N N 15.406 7.566  27.396 12.904  -1.388 -0.292 CB11 A1BEZ 94  
A1BEZ CO1  CO1 CO 2 0 N N N N N N 11.535 3.011  31.857 -3.219  -0.152 0.226  CO1  A1BEZ 95  
A1BEZ CPR1 C65 C  0 0 N N N N N N 3.841  7.303  29.505 3.041   5.270  1.747  CPR1 A1BEZ 96  
A1BEZ CPR2 C66 C  0 0 N N R N N N 4.101  7.704  28.079 3.884   5.258  0.470  CPR2 A1BEZ 97  
A1BEZ CPR3 C67 C  0 0 N N N N N N 2.925  8.331  27.367 4.970   6.332  0.566  CPR3 A1BEZ 98  
A1BEZ H2   H2  H  0 1 N N N N N N 14.034 5.051  35.532 -1.755  -4.201 2.458  H2   A1BEZ 99  
A1BEZ H3   H3  H  0 1 N N N N N N 9.738  3.963  29.517 5.950   -2.348 -0.471 H3   A1BEZ 100 
A1BEZ H4   H4  H  0 1 N N N N N N 14.678 -2.878 36.963 -11.037 -3.761 0.901  H4   A1BEZ 101 
A1BEZ H5   H5  H  0 1 N N N N N N 15.151 -1.618 35.774 -10.109 -3.082 -0.457 H5   A1BEZ 102 
A1BEZ H6   H6  H  0 1 N N N N N N 13.868 -1.275 36.984 -9.418  -4.396 0.524  H6   A1BEZ 103 
A1BEZ H7   H7  H  0 1 N N N N N N 12.424 -3.016 35.945 -10.038 -1.575 1.512  H7   A1BEZ 104 
A1BEZ H8   H8  H  0 1 N N N N N N 13.707 -3.358 34.735 -9.347  -2.890 2.492  H8   A1BEZ 105 
A1BEZ H9   H9  H  0 1 N N N N N N 13.067 0.127  29.148 -4.587  0.547  -3.757 H9   A1BEZ 106 
A1BEZ H11  H11 H  0 1 N N N N N N 8.223  -0.078 29.581 -4.986  4.195  -0.679 H11  A1BEZ 107 
A1BEZ H13  H13 H  0 1 N N N N N N 8.677  5.931  32.631 -0.538  0.910  3.572  H13  A1BEZ 108 
A1BEZ H14  H14 H  0 1 N N N N N N 9.883  3.889  34.541 -3.227  -0.412 3.229  H14  A1BEZ 109 
A1BEZ H15  H15 H  0 1 N N N N N N 10.436 7.175  32.993 0.358   0.129  2.483  H15  A1BEZ 110 
A1BEZ H16  H16 H  0 1 N N N N N N 12.139 6.924  32.478 0.503   -1.123 1.225  H16  A1BEZ 111 
A1BEZ H17  H17 H  0 1 N N N N N N 10.806 6.079  31.619 -0.358  0.395  0.875  H17  A1BEZ 112 
A1BEZ H18  H18 H  0 1 N N N N N N 12.285 7.148  36.415 0.922   -1.767 2.927  H18  A1BEZ 113 
A1BEZ H19  H19 H  0 1 N N N N N N 12.080 7.737  34.731 0.164   -1.324 4.475  H19  A1BEZ 114 
A1BEZ H20  H20 H  0 1 N N N N N N 10.663 7.116  35.643 0.480   -3.034 4.097  H20  A1BEZ 115 
A1BEZ H21  H21 H  0 1 N N N N N N 10.708 4.630  36.373 -2.320  -1.395 4.680  H21  A1BEZ 116 
A1BEZ H22  H22 H  0 1 N N N N N N 11.817 3.505  35.518 -3.229  -2.492 3.613  H22  A1BEZ 117 
A1BEZ H23  H23 H  0 1 N N N N N N 14.964 6.123  33.176 0.688   -2.922 1.147  H23  A1BEZ 118 
A1BEZ H24  H24 H  0 1 N N N N N N 13.648 7.282  33.567 0.758   -4.047 2.524  H24  A1BEZ 119 
A1BEZ H25  H25 H  0 1 N N N N N N 14.615 7.778  35.721 -0.479  -5.740 1.107  H25  A1BEZ 120 
A1BEZ H26  H26 H  0 1 N N N N N N 15.797 6.434  35.566 -0.310  -4.627 -0.272 H26  A1BEZ 121 
A1BEZ H27  H27 H  0 1 N N N N N N 15.296 4.101  35.302 -1.711  -5.320 0.309  H27  A1BEZ 122 
A1BEZ H28  H28 H  0 1 N N N N N N 15.842 2.441  34.889 -2.971  -5.286 -0.947 H28  A1BEZ 123 
A1BEZ H29  H29 H  0 1 N N N N N N 16.449 3.846  33.948 -1.281  -4.922 -1.372 H29  A1BEZ 124 
A1BEZ H30  H30 H  0 1 N N N N N N 17.326 1.916  33.053 -1.604  -4.603 -2.686 H30  A1BEZ 125 
A1BEZ H31  H31 H  0 1 N N N N N N 17.551 0.936  31.565 -2.164  -4.061 -4.287 H31  A1BEZ 126 
A1BEZ H32  H32 H  0 1 N N N N N N 17.191 2.692  31.438 -1.145  -2.993 -3.292 H32  A1BEZ 127 
A1BEZ H33  H33 H  0 1 N N N N N N 15.361 0.371  33.880 -5.081  -3.812 -1.862 H33  A1BEZ 128 
A1BEZ H34  H34 H  0 1 N N N N N N 14.164 -0.143 32.643 -3.837  -5.082 -1.954 H34  A1BEZ 129 
A1BEZ H35  H35 H  0 1 N N N N N N 16.831 1.757  29.298 -2.763  -2.537 -5.291 H35  A1BEZ 130 
A1BEZ H36  H36 H  0 1 N N N N N N 15.976 3.185  29.974 -1.788  -1.463 -4.259 H36  A1BEZ 131 
A1BEZ H37  H37 H  0 1 N N N N N N 14.088 2.749  28.445 -4.341  -0.661 -5.727 H37  A1BEZ 132 
A1BEZ H38  H38 H  0 1 N N N N N N 14.997 1.368  27.743 -3.329  0.409  -4.728 H38  A1BEZ 133 
A1BEZ H39  H39 H  0 1 N N N N N N 9.942  -1.062 31.247 -6.315  3.920  -2.746 H39  A1BEZ 134 
A1BEZ H40  H40 H  0 1 N N N N N N 9.661  -2.122 29.824 -6.256  2.276  -3.425 H40  A1BEZ 135 
A1BEZ H41  H41 H  0 1 N N N N N N 11.337 -1.794 30.383 -6.543  2.509  -1.684 H41  A1BEZ 136 
A1BEZ H42  H42 H  0 1 N N N N N N 11.893 -1.066 28.082 -2.672  3.135  -3.381 H42  A1BEZ 137 
A1BEZ H43  H43 H  0 1 N N N N N N 10.212 -1.200 27.465 -4.056  2.671  -4.399 H43  A1BEZ 138 
A1BEZ H44  H44 H  0 1 N N N N N N 11.089 0.363  27.350 -3.943  4.325  -3.751 H44  A1BEZ 139 
A1BEZ H45  H45 H  0 1 N N N N N N 9.673  1.627  27.600 -2.399  4.857  -0.581 H45  A1BEZ 140 
A1BEZ H46  H46 H  0 1 N N N N N N 8.345  2.446  28.490 -2.409  4.260  -2.258 H46  A1BEZ 141 
A1BEZ H47  H47 H  0 1 N N N N N N 8.236  0.719  26.178 -4.299  5.802  -2.776 H47  A1BEZ 142 
A1BEZ H48  H48 H  0 1 N N N N N N 6.946  1.709  26.940 -4.231  6.423  -1.109 H48  A1BEZ 143 
A1BEZ H49  H49 H  0 1 N N N N N N 6.116  2.442  31.585 -3.473  5.142  0.555  H49  A1BEZ 144 
A1BEZ H50  H50 H  0 1 N N N N N N 6.560  1.876  29.939 -3.518  4.795  2.301  H50  A1BEZ 145 
A1BEZ H51  H51 H  0 1 N N N N N N 6.680  0.754  31.337 -1.957  4.867  1.447  H51  A1BEZ 146 
A1BEZ H52  H52 H  0 1 N N N N N N 6.366  3.932  34.848 -4.114  1.854  4.268  H52  A1BEZ 147 
A1BEZ H53  H53 H  0 1 N N N N N N 6.522  2.421  33.890 -3.016  2.751  5.344  H53  A1BEZ 148 
A1BEZ H54  H54 H  0 1 N N N N N N 7.899  2.996  34.890 -3.829  3.590  4.001  H54  A1BEZ 149 
A1BEZ H55  H55 H  0 1 N N N N N N 5.919  5.491  33.053 -1.586  4.371  3.235  H55  A1BEZ 150 
A1BEZ H56  H56 H  0 1 N N N N N N 5.684  4.018  32.051 -0.719  3.441  4.480  H56  A1BEZ 151 
A1BEZ H57  H57 H  0 1 N N N N N N 7.545  4.994  30.544 0.371   2.102  2.658  H57  A1BEZ 152 
A1BEZ H58  H58 H  0 1 N N N N N N 7.239  6.537  31.412 -0.426  3.146  1.457  H58  A1BEZ 153 
A1BEZ H59  H59 H  0 1 N N N N N N 7.090  5.782  34.957 -3.000  0.685  5.371  H59  A1BEZ 154 
A1BEZ H60  H60 H  0 1 N N N N N N 8.788  5.875  35.536 -1.657  -0.483 5.368  H60  A1BEZ 155 
A1BEZ H61  H61 H  0 1 N N N N N N 15.247 0.227  30.225 -4.729  -2.154 -3.773 H61  A1BEZ 156 
A1BEZ H62  H62 H  0 1 N N N N N N 14.468 4.747  31.052 9.891   -3.897 2.167  H62  A1BEZ 157 
A1BEZ H63  H63 H  0 1 N N N N N N 12.799 6.911  26.867 10.615  -0.717 -1.548 H63  A1BEZ 158 
A1BEZ H64  H64 H  0 1 N N N N N N 10.726 5.922  26.392 8.430   -0.781 -2.861 H64  A1BEZ 159 
A1BEZ H65  H65 H  0 1 N N N N N N 10.023 7.867  27.607 8.163   1.387  -2.163 H65  A1BEZ 160 
A1BEZ H66  H66 H  0 1 N N N N N N 8.268  7.437  26.007 5.952   1.642  -2.923 H66  A1BEZ 161 
A1BEZ H67  H67 H  0 1 N N N N N N 7.164  5.127  27.573 5.088   -0.702 -1.136 H67  A1BEZ 162 
A1BEZ H68  H68 H  0 1 N N N N N N 8.107  5.188  24.707 3.413   0.503  -2.614 H68  A1BEZ 163 
A1BEZ H69  H69 H  0 1 N N N N N N 6.446  5.601  25.250 4.409   0.061  -4.022 H69  A1BEZ 164 
A1BEZ H70  H70 H  0 1 N N N N N N 12.411 -1.822 33.511 -7.724  -2.535 0.208  H70  A1BEZ 165 
A1BEZ H71  H71 H  0 1 N N N N N N 13.876 3.267  38.313 -3.571  -3.256 6.175  H71  A1BEZ 166 
A1BEZ H72  H72 H  0 1 N N N N N N 13.186 2.540  36.900 -2.557  -4.522 6.613  H72  A1BEZ 167 
A1BEZ H73  H73 H  0 1 N N N N N N 16.479 10.152 34.064 0.955   -6.938 -0.835 H73  A1BEZ 168 
A1BEZ H74  H74 H  0 1 N N N N N N 15.066 9.716  34.967 2.611   -6.852 -0.563 H74  A1BEZ 169 
A1BEZ H75  H75 H  0 1 N N N N N N 17.744 -2.071 32.892 -6.223  -5.842 -3.101 H75  A1BEZ 170 
A1BEZ H76  H76 H  0 1 N N N N N N 17.246 -0.900 34.068 -6.149  -5.751 -4.777 H76  A1BEZ 171 
A1BEZ H77  H77 H  0 1 N N N N N N 17.659 4.061  27.032 -3.488  1.411  -7.224 H77  A1BEZ 172 
A1BEZ H78  H78 H  0 1 N N N N N N 17.539 2.976  28.377 -2.150  1.023  -8.163 H78  A1BEZ 173 
A1BEZ H79  H79 H  0 1 N N N N N N 7.295  -2.320 27.602 -3.797  8.487  -2.734 H79  A1BEZ 174 
A1BEZ H80  H80 H  0 1 N N N N N N 8.556  -1.404 26.845 -2.163  8.854  -2.860 H80  A1BEZ 175 
A1BEZ H81  H81 H  0 1 N N N N N N 5.504  7.739  30.757 2.120   3.510  0.999  H81  A1BEZ 176 
A1BEZ H82  H82 H  0 1 N N N N N N 8.134  9.334  35.473 -2.150  0.859  7.798  H82  A1BEZ 177 
A1BEZ H83  H83 H  0 1 N N N N N N 8.105  7.899  36.442 -0.951  2.004  8.067  H83  A1BEZ 178 
A1BEZ H84  H84 H  0 1 N N N N N N 7.144  10.505 26.723 6.744   4.320  -1.422 H84  A1BEZ 179 
A1BEZ H85  H85 H  0 1 N N N N N N 9.844  6.774  29.697 8.569   0.533  0.053  H85  A1BEZ 180 
A1BEZ H86  H86 H  0 1 N N N N N N 6.654  3.381  24.605 2.764   -1.577 -3.706 H86  A1BEZ 181 
A1BEZ H87  H87 H  0 1 N N N N N N 16.429 7.177  30.461 12.880  -4.146 1.418  H87  A1BEZ 182 
A1BEZ H88  H88 H  0 1 N N N N N N 16.770 5.417  30.350 13.241  -2.470 1.896  H88  A1BEZ 183 
A1BEZ H89  H89 H  0 1 N N N N N N 17.004 6.469  28.913 12.144  -3.462 2.887  H89  A1BEZ 184 
A1BEZ H90  H90 H  0 1 N N N N N N 15.310 8.600  27.759 13.366  -2.060 -1.015 H90  A1BEZ 185 
A1BEZ H91  H91 H  0 1 N N N N N N 16.447 7.231  27.515 12.860  -0.381 -0.707 H91  A1BEZ 186 
A1BEZ H92  H92 H  0 1 N N N N N N 15.126 7.523  26.333 13.495  -1.378 0.624  H92  A1BEZ 187 
A1BEZ H93  H93 H  0 1 N N N N N N 3.316  8.128  30.009 2.521   6.224  1.830  H93  A1BEZ 188 
A1BEZ H94  H94 H  0 1 N N N N N N 3.201  6.408  29.504 3.691   5.134  2.612  H94  A1BEZ 189 
A1BEZ H95  H95 H  0 1 N N N N N N 4.491  6.852  27.502 3.245   5.464  -0.389 H95  A1BEZ 190 
A1BEZ H96  H96 H  0 1 N N N N N N 2.137  7.577  27.224 5.609   6.126  1.424  H96  A1BEZ 191 
A1BEZ H97  H97 H  0 1 N N N N N N 2.532  9.162  27.971 5.570   6.323  -0.344 H97  A1BEZ 192 
A1BEZ H98  H98 H  0 1 N N N N N N 3.250  8.711  26.387 4.504   7.310  0.685  H98  A1BEZ 193 
# 
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 
A1BEZ OR8  CR5  SING N N 1   
A1BEZ CR5  CR4  SING N N 2   
A1BEZ OP4  P1   DOUB N N 3   
A1BEZ O44  C43  DOUB N N 4   
A1BEZ CR4  CR3  SING N N 5   
A1BEZ CR4  OR6  SING N N 6   
A1BEZ CR3  OP2  SING N N 7   
A1BEZ CR3  CR2  SING N N 8   
A1BEZ OR6  CR1  SING N N 9   
A1BEZ C49  C50  SING N N 10  
A1BEZ C49  C48  SING N N 11  
A1BEZ P1   OP5  SING N N 12  
A1BEZ P1   OP2  SING N N 13  
A1BEZ P1   OP3  SING N N 14  
A1BEZ CR1  CR2  SING N N 15  
A1BEZ CR1  NB1  SING N N 16  
A1BEZ N52  C50  SING N N 17  
A1BEZ C43  N45  SING N N 18  
A1BEZ C43  C42  SING N N 19  
A1BEZ CPR3 CPR2 SING N N 20  
A1BEZ CB11 CB6  SING N N 21  
A1BEZ C50  O51  DOUB N N 22  
A1BEZ CB7  CB6  DOUB Y N 23  
A1BEZ CB7  CB8  SING Y N 24  
A1BEZ CR2  OR7  SING N N 25  
A1BEZ C47  C12  SING N N 26  
A1BEZ CPR2 OP3  SING N N 27  
A1BEZ CPR2 CPR1 SING N N 28  
A1BEZ C48  C13  SING N N 29  
A1BEZ CB6  CB5  SING Y N 30  
A1BEZ C42  C41  SING N N 31  
A1BEZ NB1  CB8  SING Y N 32  
A1BEZ NB1  CB2  SING Y N 33  
A1BEZ CB8  CB9  DOUB Y N 34  
A1BEZ C12  C13  SING N N 35  
A1BEZ C12  C11  SING N N 36  
A1BEZ C12  C46  SING N N 37  
A1BEZ CB5  CB10 SING N N 38  
A1BEZ CB5  CB4  DOUB Y N 39  
A1BEZ CB2  NB3  DOUB Y N 40  
A1BEZ C13  C14  SING N N 41  
A1BEZ CPR1 N59  SING N N 42  
A1BEZ C41  C8   SING N N 43  
A1BEZ O58  C57  DOUB N N 44  
A1BEZ CB9  CB4  SING Y N 45  
A1BEZ CB9  NB3  SING Y N 46  
A1BEZ C10  C11  SING N N 47  
A1BEZ C10  C9   DOUB N N 48  
A1BEZ C11  N23  DOUB N N 49  
A1BEZ N59  C57  SING N N 50  
A1BEZ C57  C56  SING N N 51  
A1BEZ C8   C9   SING N N 52  
A1BEZ C8   C7   SING N N 53  
A1BEZ C9   N22  SING N N 54  
A1BEZ C14  N23  SING N N 55  
A1BEZ C14  C15  DOUB N N 56  
A1BEZ N23  CO1  SING N N 57  
A1BEZ C53  C15  SING N N 58  
A1BEZ C56  C55  SING N N 59  
A1BEZ C15  C16  SING N N 60  
A1BEZ O39  C38  DOUB N N 61  
A1BEZ N22  CO1  SING N N 62  
A1BEZ N22  C6   DOUB N N 63  
A1BEZ CO1  N24  SING N N 64  
A1BEZ CO1  N21  SING N N 65  
A1BEZ CO1  C1L  SING N N 66  
A1BEZ C7   C36  SING N N 67  
A1BEZ C7   C6   SING N N 68  
A1BEZ C7   C37  SING N N 69  
A1BEZ C16  N24  DOUB N N 70  
A1BEZ C16  C17  SING N N 71  
A1BEZ C55  C17  SING N N 72  
A1BEZ C38  C37  SING N N 73  
A1BEZ C38  N40  SING N N 74  
A1BEZ C6   C5   SING N N 75  
A1BEZ N24  C19  SING N N 76  
A1BEZ C20  C1   SING N N 77  
A1BEZ N21  C1   SING N N 78  
A1BEZ N21  C4   SING N N 79  
A1BEZ C17  C18  SING N N 80  
A1BEZ C17  C54  SING N N 81  
A1BEZ C1L  C2L  TRIP N N 82  
A1BEZ O62  C61  DOUB N N 83  
A1BEZ C18  C19  SING N N 84  
A1BEZ C18  C60  SING N N 85  
A1BEZ C5   C4   DOUB N N 86  
A1BEZ C5   C35  SING N N 87  
A1BEZ C1   C19  SING N N 88  
A1BEZ C1   C2   SING N N 89  
A1BEZ C4   C3   SING N N 90  
A1BEZ O33  C32  DOUB N N 91  
A1BEZ C30  C3   SING N N 92  
A1BEZ C30  C31  SING N N 93  
A1BEZ C2L  C01  SING N N 94  
A1BEZ C32  N34  SING N N 95  
A1BEZ C32  C31  SING N N 96  
A1BEZ C61  C60  SING N N 97  
A1BEZ C61  N63  SING N N 98  
A1BEZ N01  C01  SING N N 99  
A1BEZ N01  C04  SING N N 100 
A1BEZ C3   C2   SING N N 101 
A1BEZ C01  O01  DOUB N N 102 
A1BEZ C2   C25  SING N N 103 
A1BEZ C2   C26  SING N N 104 
A1BEZ C04  C02  SING N N 105 
A1BEZ C26  C27  SING N N 106 
A1BEZ C27  N29  SING N N 107 
A1BEZ C27  O28  DOUB N N 108 
A1BEZ C3   H2   SING N N 109 
A1BEZ CB2  H3   SING N N 110 
A1BEZ C02  H4   SING N N 111 
A1BEZ C02  H5   SING N N 112 
A1BEZ C02  H6   SING N N 113 
A1BEZ C04  H7   SING N N 114 
A1BEZ C04  H8   SING N N 115 
A1BEZ C10  H9   SING N N 116 
A1BEZ C13  H11  SING N N 117 
A1BEZ C18  H13  SING N N 118 
A1BEZ C19  H14  SING N N 119 
A1BEZ C20  H15  SING N N 120 
A1BEZ C20  H16  SING N N 121 
A1BEZ C20  H17  SING N N 122 
A1BEZ C25  H18  SING N N 123 
A1BEZ C25  H19  SING N N 124 
A1BEZ C25  H20  SING N N 125 
A1BEZ C26  H21  SING N N 126 
A1BEZ C26  H22  SING N N 127 
A1BEZ C30  H23  SING N N 128 
A1BEZ C30  H24  SING N N 129 
A1BEZ C31  H25  SING N N 130 
A1BEZ C31  H26  SING N N 131 
A1BEZ C35  H27  SING N N 132 
A1BEZ C35  H28  SING N N 133 
A1BEZ C35  H29  SING N N 134 
A1BEZ C36  H30  SING N N 135 
A1BEZ C36  H31  SING N N 136 
A1BEZ C36  H32  SING N N 137 
A1BEZ C37  H33  SING N N 138 
A1BEZ C37  H34  SING N N 139 
A1BEZ C41  H35  SING N N 140 
A1BEZ C41  H36  SING N N 141 
A1BEZ C42  H37  SING N N 142 
A1BEZ C42  H38  SING N N 143 
A1BEZ C46  H39  SING N N 144 
A1BEZ C46  H40  SING N N 145 
A1BEZ C46  H41  SING N N 146 
A1BEZ C47  H42  SING N N 147 
A1BEZ C47  H43  SING N N 148 
A1BEZ C47  H44  SING N N 149 
A1BEZ C48  H45  SING N N 150 
A1BEZ C48  H46  SING N N 151 
A1BEZ C49  H47  SING N N 152 
A1BEZ C49  H48  SING N N 153 
A1BEZ C53  H49  SING N N 154 
A1BEZ C53  H50  SING N N 155 
A1BEZ C53  H51  SING N N 156 
A1BEZ C54  H52  SING N N 157 
A1BEZ C54  H53  SING N N 158 
A1BEZ C54  H54  SING N N 159 
A1BEZ C55  H55  SING N N 160 
A1BEZ C55  H56  SING N N 161 
A1BEZ C56  H57  SING N N 162 
A1BEZ C56  H58  SING N N 163 
A1BEZ C60  H59  SING N N 164 
A1BEZ C60  H60  SING N N 165 
A1BEZ C8   H61  SING N N 166 
A1BEZ CB4  H62  SING N N 167 
A1BEZ CB7  H63  SING N N 168 
A1BEZ CR1  H64  SING N N 169 
A1BEZ CR2  H65  SING N N 170 
A1BEZ CR3  H66  SING N N 171 
A1BEZ CR4  H67  SING N N 172 
A1BEZ CR5  H68  SING N N 173 
A1BEZ CR5  H69  SING N N 174 
A1BEZ N01  H70  SING N N 175 
A1BEZ N29  H71  SING N N 176 
A1BEZ N29  H72  SING N N 177 
A1BEZ N34  H73  SING N N 178 
A1BEZ N34  H74  SING N N 179 
A1BEZ N40  H75  SING N N 180 
A1BEZ N40  H76  SING N N 181 
A1BEZ N45  H77  SING N N 182 
A1BEZ N45  H78  SING N N 183 
A1BEZ N52  H79  SING N N 184 
A1BEZ N52  H80  SING N N 185 
A1BEZ N59  H81  SING N N 186 
A1BEZ N63  H82  SING N N 187 
A1BEZ N63  H83  SING N N 188 
A1BEZ OP5  H84  SING N N 189 
A1BEZ OR7  H85  SING N N 190 
A1BEZ OR8  H86  SING N N 191 
A1BEZ CB10 H87  SING N N 192 
A1BEZ CB10 H88  SING N N 193 
A1BEZ CB10 H89  SING N N 194 
A1BEZ CB11 H90  SING N N 195 
A1BEZ CB11 H91  SING N N 196 
A1BEZ CB11 H92  SING N N 197 
A1BEZ CPR1 H93  SING N N 198 
A1BEZ CPR1 H94  SING N N 199 
A1BEZ CPR2 H95  SING N N 200 
A1BEZ CPR3 H96  SING N N 201 
A1BEZ CPR3 H97  SING N N 202 
A1BEZ CPR3 H98  SING N N 203 
# 
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 
A1BEZ InChI            InChI                1.06    "InChI=1S/C62H90N13O14P.C5H6NO.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;1-3-5(7)6-4-2;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);4H2,2H3,(H,6,7);/q;;+4/p-1/t31-,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;;/m1../s1" 
A1BEZ InChIKey         InChI                1.06    GTWOUBUZIJSOJW-WZHZPDAFSA-M                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                         
A1BEZ SMILES_CANONICAL CACTVS               3.385   "CCNC(=O)C#C[Co]123[N@@]4C5=C(C)C6=[N@+]1C(=CC7=[N@+]2C(=C(C)C8=[N@+]3[C@H]([C@H](CC(N)=O)[C@@]8(C)CCC(=O)NC[C@@H](C)O[P](O)(=O)O[C@H]9[C@@H](O)[C@H](O[C@@H]9CO)n%10cnc%11cc(C)c(C)cc%10%11)[C@@]4(C)[C@@](C)(CC(N)=O)[C@@H]5CCC(N)=O)[C@@H](CCC(N)=O)C7(C)C)[C@@H](CCC(N)=O)[C@]6(C)CC(N)=O"                                                                                                                                                                                                                                                                                      
A1BEZ SMILES           CACTVS               3.385   "CCNC(=O)C#C[Co]123[N]4C5=C(C)C6=[N+]1C(=CC7=[N+]2C(=C(C)C8=[N+]3[CH]([CH](CC(N)=O)[C]8(C)CCC(=O)NC[CH](C)O[P](O)(=O)O[CH]9[CH](O)[CH](O[CH]9CO)n%10cnc%11cc(C)c(C)cc%10%11)[C]4(C)[C](C)(CC(N)=O)[CH]5CCC(N)=O)[CH](CCC(N)=O)C7(C)C)[CH](CCC(N)=O)[C]6(C)CC(N)=O"                                                                                                                                                                                                                                                                                                                  
A1BEZ SMILES_CANONICAL "OpenEye OEToolkits" 3.1.0.0 "CCNC(=O)C#C[Co]123[N@@]4C5=C(C6=[N+]1C(=CC7=[N+]2C(=C(C8=[N+]3[C@@H]([C@]4([C@@]([C@@H]5CCC(=O)N)(C)CC(=O)N)C)[C@@H]([C@@]8(C)CCC(=O)NC[C@@H](C)OP(=O)(O)O[C@@H]9[C@H](O[C@@H]([C@@H]9O)n1cnc2c1cc(c(c2)C)C)CO)CC(=O)N)C)[C@H](C7(C)C)CCC(=O)N)[C@H]([C@]6(C)CC(=O)N)CCC(=O)N)C"                                                                                                                                                                                                                                                                                                   
A1BEZ SMILES           "OpenEye OEToolkits" 3.1.0.0 "CCNC(=O)C#C[Co]123N4C5=C(C6=[N+]1C(=CC7=[N+]2C(=C(C8=[N+]3C(C4(C(C5CCC(=O)N)(C)CC(=O)N)C)C(C8(C)CCC(=O)NCC(C)OP(=O)(O)OC9C(OC(C9O)n1cnc2c1cc(c(c2)C)C)CO)CC(=O)N)C)C(C7(C)C)CCC(=O)N)C(C6(C)CC(=O)N)CCC(=O)N)C"                                                                                                                                                                                                                                                                                                                                                                    
# 
_pdbx_chem_comp_identifier.comp_id           A1BEZ 
_pdbx_chem_comp_identifier.type              "SYSTEMATIC NAME" 
_pdbx_chem_comp_identifier.program           "OpenEye OEToolkits" 
_pdbx_chem_comp_identifier.program_version   3.1.0.0 
_pdbx_chem_comp_identifier.identifier        "[(2~{R},3~{S},4~{R},5~{S})-5-(5,6-dimethylbenzimidazol-1-yl)-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] [(2~{R})-1-[3-[(3~{R},4~{R},5~{R},9~{S},14~{S},15~{S},19~{S},20~{S},21~{R},22~{R})-4,15,20-tris(2-azanyl-2-oxidanylidene-ethyl)-9,14,19-tris(3-azanyl-3-oxidanylidene-propyl)-1-[3-(ethylamino)-3-oxidanylidene-prop-1-ynyl]-5,7,10,10,15,17,20,21-octamethyl-22-aza-2,23,24-triazonia-1$l^{5}-cobaltaoctacyclo[11.9.1.1^{1,8}.0^{2,6}.0^{3,21}.0^{16,23}.0^{18,22}.0^{11,24}]tetracosa-2(6),7,11(24),12,16(23),17-hexaen-5-yl]propanoylamino]propan-2-yl] hydrogen phosphate" 
# 
loop_
_pdbx_chem_comp_audit.comp_id 
_pdbx_chem_comp_audit.action_type 
_pdbx_chem_comp_audit.date 
_pdbx_chem_comp_audit.processing_site 
A1BEZ "Create component"   2024-11-01 RCSB 
A1BEZ "Other modification" 2024-11-01 RCSB 
A1BEZ "Modify charge"      2024-12-09 RCSB 
A1BEZ "Initial release"    2025-09-24 RCSB 
# 
_pdbx_chem_comp_synonyms.ordinal      1 
_pdbx_chem_comp_synonyms.comp_id      A1BEZ 
_pdbx_chem_comp_synonyms.name         "[(2~{R},3~{S},4~{R},5~{S})-5-(5,6-dimethylbenzimidazol-1-yl)-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] [(2~{R})-1-[3-[(3~{R},4~{R},5~{R},9~{S},14~{S},15~{S},19~{S},20~{S},21~{R},22~{R})-4,15,20-tris(2-azanyl-2-oxidanylidene-ethyl)-9,14,19-tris(3-azanyl-3-oxidanylidene-propyl)-1-[3-(ethylamino)-3-oxidanylidene-prop-1-ynyl]-5,7,10,10,15,17,20,21-octamethyl-22-aza-2,23,24-triazonia-1$l^{5}-cobaltaoctacyclo[11.9.1.1^{1,8}.0^{2,6}.0^{3,21}.0^{16,23}.0^{18,22}.0^{11,24}]tetracosa-2(6),7,11(24),12,16(23),17-hexaen-5-yl]propanoylamino]propan-2-yl] hydrogen phosphate" 
_pdbx_chem_comp_synonyms.provenance   PDB 
_pdbx_chem_comp_synonyms.type         ? 
# 
