data_A1BEY
# 
_chem_comp.id                                    A1BEY 
_chem_comp.name                                  ethynyl-N-phenylpropiolamide-cobalamin 
_chem_comp.type                                  non-polymer 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C71 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] 1-[3-[(3~{R},4~{R},5~{R},9~{S},14~{S},15~{S},19~{S},20~{S},21~{R})-4,15,20-tris(2-azanyl-2-oxidanylidene-ethyl)-9,14,19-tris(3-azanyl-3-oxidanylidene-propyl)-5,7,10,10,15,17,20,21-octamethyl-1-(3-oxidanylidene-3-phenylazanyl-prop-1-ynyl)-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                        1474.506 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     A1BEY 
_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        9E5Q 
_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 
A1BEY C4   C1  C  0 1 N N N N N N 6.564  -3.534 33.757 -1.658  2.692  0.244  C4   A1BEY 1   
A1BEY C3   C2  C  0 1 N N S N N N 6.423  -4.756 34.628 -0.776  3.412  -0.728 C3   A1BEY 2   
A1BEY C2   C3  C  0 1 N N S N N N 7.930  -5.059 34.875 -0.661  2.441  -1.923 C2   A1BEY 3   
A1BEY C1   C4  C  0 1 N N R N N N 8.667  -4.549 33.563 -1.075  1.108  -1.285 C1   A1BEY 4   
A1BEY NB1  N1  N  0 1 Y N N N N N 8.794  -4.361 28.366 9.072   1.553  0.018  NB1  A1BEY 5   
A1BEY CB2  C5  C  0 1 Y N N N N N 9.184  -3.566 29.416 8.836   1.835  -1.291 CB2  A1BEY 6   
A1BEY NB3  N2  N  0 1 Y N N N N N 8.207  -3.412 30.270 9.962   1.983  -1.926 NB3  A1BEY 7   
A1BEY C01  C6  C  0 1 N N N N N N 7.734  0.111  35.937 -6.955  1.608  -1.472 C01  A1BEY 8   
A1BEY C02  C7  C  0 1 Y N N N N N 7.643  2.479  34.165 -8.824  3.159  -2.968 C02  A1BEY 9   
A1BEY C03  C8  C  0 1 Y N N N N N 7.542  3.662  33.375 -9.951  3.726  -3.531 C03  A1BEY 10  
A1BEY C04  C9  C  0 1 Y N N N N N 6.983  4.821  33.950 -10.728 2.995  -4.411 C04  A1BEY 11  
A1BEY C05  C10 C  0 1 Y N N N N N 6.479  4.813  35.276 -10.380 1.696  -4.731 C05  A1BEY 12  
A1BEY C06  C11 C  0 1 Y N N N N N 6.559  3.635  36.030 -9.254  1.123  -4.172 C06  A1BEY 13  
A1BEY C07  C12 C  0 1 Y N N N N N 7.095  2.490  35.443 -8.472  1.854  -3.288 C07  A1BEY 14  
A1BEY C10  C13 C  0 1 N N N N N N 7.210  0.126  30.031 -4.392  -0.991 2.931  C10  A1BEY 15  
A1BEY C11  C14 C  0 1 N N N N N N 8.586  0.072  30.146 -4.261  -1.862 1.858  C11  A1BEY 16  
A1BEY C12  C15 C  0 1 N N N N N N 9.541  1.015  29.433 -4.779  -3.281 1.959  C12  A1BEY 17  
A1BEY C13  C16 C  0 1 N N S N N N 10.901 0.256  29.580 -4.286  -3.908 0.664  C13  A1BEY 18  
A1BEY C14  C17 C  0 1 N N N N N N 10.629 -0.713 30.729 -3.603  -2.740 -0.031 C14  A1BEY 19  
A1BEY C15  C18 C  0 1 N N N N N N 11.613 -1.516 31.274 -2.985  -3.003 -1.227 C15  A1BEY 20  
A1BEY C16  C19 C  0 1 N N N N N N 11.286 -2.539 32.227 -2.422  -1.909 -1.894 C16  A1BEY 21  
A1BEY C17  C20 C  0 1 N N R N N N 12.304 -3.340 33.109 -1.787  -1.846 -3.251 C17  A1BEY 22  
A1BEY C18  C21 C  0 1 N N R N N N 11.369 -4.506 33.491 -1.100  -0.464 -3.268 C18  A1BEY 23  
A1BEY C19  C22 C  0 1 N N R N N N 10.029 -3.800 33.707 -1.936  0.276  -2.216 C19  A1BEY 24  
A1BEY C1L  C23 C  0 1 N N N N N N 8.433  -1.056 33.588 -4.714  0.702  -0.499 C1L  A1BEY 25  
A1BEY C20  C24 C  0 1 N N N N N N 8.792  -5.589 32.465 0.141   0.325  -0.796 C20  A1BEY 26  
A1BEY C25  C25 C  0 1 N N N N N N 8.178  -6.538 35.234 0.780   2.370  -2.418 C25  A1BEY 27  
A1BEY C26  C26 C  0 1 N N N N N N 8.369  -4.240 36.108 -1.604  2.831  -3.050 C26  A1BEY 28  
A1BEY C27  C27 C  0 1 N N N N N N 7.454  -4.426 37.285 -1.157  4.139  -3.650 C27  A1BEY 29  
A1BEY C2L  C28 C  0 1 N N N N N N 8.234  -0.487 34.636 -5.723  1.110  -0.937 C2L  A1BEY 30  
A1BEY C30  C29 C  0 1 N N N N N N 5.572  -5.841 33.872 0.597   3.652  -0.100 C30  A1BEY 31  
A1BEY C31  C30 C  0 1 N N N N N N 4.944  -6.887 34.784 0.461   4.635  1.065  C31  A1BEY 32  
A1BEY C32  C31 C  0 1 N N N N N N 4.070  -7.848 34.033 1.830   5.012  1.567  C32  A1BEY 33  
A1BEY C35  C32 C  0 1 N N N N N N 4.365  -2.605 34.603 -1.856  4.408  2.036  C35  A1BEY 34  
A1BEY C36  C33 C  0 1 N N N N N N 3.029  -0.841 32.491 -2.104  2.846  4.444  C36  A1BEY 35  
A1BEY C37  C34 C  0 1 N N N N N N 4.982  0.696  33.124 -4.299  3.594  3.486  C37  A1BEY 36  
A1BEY C38  C35 C  0 1 N N N N N N 4.110  1.891  32.870 -4.941  3.794  4.834  C38  A1BEY 37  
A1BEY C41  C36 C  0 1 N N N N N N 4.096  -1.326 29.829 -3.191  0.615  5.275  C41  A1BEY 38  
A1BEY C42  C37 C  0 1 N N N N N N 4.803  -1.415 28.493 -3.931  -0.613 5.810  C42  A1BEY 39  
A1BEY C43  C38 C  0 1 N N N N N N 4.069  -2.190 27.433 -3.270  -1.083 7.080  C43  A1BEY 40  
A1BEY C46  C39 C  0 1 N N N N N N 9.582  2.252  30.376 -6.303  -3.292 2.030  C46  A1BEY 41  
A1BEY C47  C40 C  0 1 N N N N N N 9.107  1.453  28.017 -4.180  -3.984 3.174  C47  A1BEY 42  
A1BEY C48  C41 C  0 1 N N N N N N 11.312 -0.622 28.369 -3.267  -5.011 0.947  C48  A1BEY 43  
A1BEY C49  C42 C  0 1 N N N N N N 11.970 0.130  27.219 -4.002  -6.312 1.279  C49  A1BEY 44  
A1BEY C5   C43 C  0 1 N N N N N N 5.495  -2.569 33.593 -2.115  3.049  1.457  C5   A1BEY 45  
A1BEY C50  C44 C  0 1 N N N N N N 12.973 1.101  27.756 -2.999  -7.418 1.480  C50  A1BEY 46  
A1BEY C53  C45 C  0 1 N N N N N N 13.046 -1.103 30.991 -2.910  -4.395 -1.784 C53  A1BEY 47  
A1BEY C54  C46 C  0 1 N N N N N N 12.755 -2.509 34.371 -2.852  -1.935 -4.339 C54  A1BEY 48  
A1BEY C55  C47 C  0 1 N N N N N N 13.534 -3.933 32.396 -0.761  -2.962 -3.411 C55  A1BEY 49  
A1BEY C56  C48 C  0 1 N N N N N N 13.214 -4.686 31.111 0.370   -2.765 -2.399 C56  A1BEY 50  
A1BEY C57  C49 C  0 1 N N N N N N 14.454 -4.965 30.286 1.377   -3.876 -2.549 C57  A1BEY 51  
A1BEY C6   C50 C  0 1 N N N N N N 5.550  -1.598 32.625 -2.821  2.060  2.173  C6   A1BEY 52  
A1BEY C60  C51 C  0 1 N N N N N N 11.895 -5.433 34.573 -1.241  0.198  -4.635 C60  A1BEY 53  
A1BEY C61  C52 C  0 1 N N N N N N 11.767 -6.875 33.981 -0.520  -0.627 -5.670 C61  A1BEY 54  
A1BEY C7   C53 C  0 1 N N S N N N 4.497  -0.510 32.297 -3.288  2.452  3.568  C7   A1BEY 55  
A1BEY C8   C54 C  0 1 N N S N N N 4.810  -0.325 30.813 -3.949  1.184  4.078  C8   A1BEY 56  
A1BEY C9   C55 C  0 1 N N N N N N 6.325  -0.533 30.860 -3.835  0.263  2.883  C9   A1BEY 57  
A1BEY CB4  C56 C  0 1 Y N N N N N 5.842  -4.243 30.346 12.387  1.848  -1.210 CB4  A1BEY 58  
A1BEY CB5  C57 C  0 1 Y N N N N N 4.898  -4.980 29.605 13.190  1.620  -0.129 CB5  A1BEY 59  
A1BEY CB6  C58 C  0 1 Y N N N N N 5.260  -5.596 28.384 12.641  1.344  1.115  CB6  A1BEY 60  
A1BEY CB7  C59 C  0 1 Y N N N N N 6.545  -5.442 27.854 11.273  1.296  1.280  CB7  A1BEY 61  
A1BEY CB8  C60 C  0 1 Y N N N N N 7.476  -4.687 28.601 10.441  1.526  0.193  CB8  A1BEY 62  
A1BEY CB9  C61 C  0 1 Y N N N N N 7.111  -4.114 29.800 10.998  1.805  -1.067 CB9  A1BEY 63  
A1BEY CR1  C62 C  0 1 N N S N N N 9.645  -4.817 27.291 8.060   1.324  1.053  CR1  A1BEY 64  
A1BEY CR2  C63 C  0 1 N N R N N N 10.393 -6.069 27.822 7.801   -0.187 1.208  CR2  A1BEY 65  
A1BEY CR3  C64 C  0 1 N N S N N N 11.668 -6.002 27.030 6.313   -0.358 0.817  CR3  A1BEY 66  
A1BEY CR4  C65 C  0 1 N N R N N N 11.963 -4.508 27.029 6.046   0.921  -0.017 CR4  A1BEY 67  
A1BEY CR5  C66 C  0 1 N N N N N N 12.756 -4.005 25.883 4.558   1.275  0.000  CR5  A1BEY 68  
A1BEY N01  N3  N  0 1 N N N N N N 7.167  1.366  36.365 -7.328  1.279  -2.725 N01  A1BEY 69  
A1BEY N21  N4  N  0 1 N N N N N N 7.685  -3.497 33.123 -1.980  1.429  -0.183 N21  A1BEY 70  
A1BEY N22  N5  N  0 1 N N N N N N 6.594  -1.517 31.713 -3.207  0.836  1.842  N22  A1BEY 71  
A1BEY N23  N6  N  0 1 N N N N N N 9.250  -0.871 30.877 -3.688  -1.613 0.688  N23  A1BEY 72  
A1BEY N24  N7  N  0 1 N N N N N N 10.081 -2.816 32.594 -2.484  -0.737 -1.308 N24  A1BEY 73  
A1BEY N29  N8  N  0 1 N N N N N N 6.964  -3.322 37.822 -1.847  4.683  -4.672 N29  A1BEY 74  
A1BEY N34  N9  N  0 1 N N N N N N 4.373  -9.137 34.187 1.957   5.872  2.597  N34  A1BEY 75  
A1BEY N40  N10 N  0 1 N N N N N N 3.506  2.432  33.914 -5.806  4.810  5.024  N40  A1BEY 76  
A1BEY N45  N11 N  0 1 N N N N N N 2.861  -2.593 27.738 -3.754  -2.158 7.734  N45  A1BEY 77  
A1BEY N52  N12 N  0 1 N N N N N N 12.673 2.370  27.535 -3.421  -8.682 1.680  N52  A1BEY 78  
A1BEY N59  N13 N  0 1 N N N N N N 14.907 -6.200 30.310 2.403   -3.977 -1.681 N59  A1BEY 79  
A1BEY N63  N14 N  0 1 N N N N N N 10.577 -7.295 34.134 -0.831  -0.492 -6.975 N63  A1BEY 80  
A1BEY O01  O1  O  0 1 N N N N N N 7.808  -0.852 36.932 -7.665  2.327  -0.795 O01  A1BEY 81  
A1BEY O28  O2  O  0 1 N N N N N N 7.236  -5.540 37.771 -0.176  4.702  -3.213 O28  A1BEY 82  
A1BEY O33  O3  O  0 1 N N N N N N 3.083  -7.458 33.447 2.819   4.541  1.045  O33  A1BEY 83  
A1BEY O39  O4  O  0 1 N N N N N N 4.157  2.543  31.797 -4.679  3.041  5.748  O39  A1BEY 84  
A1BEY O44  O5  O  0 1 N N N N N N 4.711  -2.664 26.471 -2.303  -0.493 7.515  O44  A1BEY 85  
A1BEY O51  O6  O  0 1 N N N N N N 14.097 0.712  28.102 -1.812  -7.171 1.461  O51  A1BEY 86  
A1BEY O58  O7  O  0 1 N N N N N N 14.999 -4.084 29.621 1.264   -4.680 -3.450 O58  A1BEY 87  
A1BEY O62  O8  O  0 1 N N N N N N 12.276 -7.392 33.041 0.339   -1.411 -5.329 O62  A1BEY 88  
A1BEY OP2  O9  O  0 1 N N N N N N 12.743 -6.621 27.724 6.126   -1.532 0.024  OP2  A1BEY 89  
A1BEY OP3  O10 O  0 1 N N N N N N 14.690 -7.989 28.160 5.132   -3.856 -0.700 OP3  A1BEY 90  
A1BEY OP4  O11 O  0 1 N N N N N N 13.958 -7.722 25.797 3.771   -2.204 0.638  OP4  A1BEY 91  
A1BEY OP5  O12 O  0 1 N N N N N N 12.672 -9.161 27.507 5.657   -3.383 1.832  OP5  A1BEY 92  
A1BEY OR6  O13 O  0 1 N N N N N N 10.667 -3.892 27.036 6.818   1.934  0.664  OR6  A1BEY 93  
A1BEY OR7  O14 O  0 1 N N N N N N 10.535 -5.997 29.225 8.640   -0.932 0.323  OR7  A1BEY 94  
A1BEY OR8  O15 O  0 1 N N N N N N 12.988 -2.601 25.838 4.314   2.352  -0.906 OR8  A1BEY 95  
A1BEY P1   P1  P  0 1 N N N N N N 13.447 -7.952 27.151 5.141   -2.732 0.453  P1   A1BEY 96  
A1BEY CB10 C67 C  0 0 N N N N N N 3.507  -5.170 30.148 14.688  1.667  -0.289 CB10 A1BEY 97  
A1BEY CB11 C68 C  0 0 N N N N N N 4.267  -6.389 27.565 13.546  1.094  2.295  CB11 A1BEY 98  
A1BEY CO1  CO1 CO 2 0 N N N N N N 8.401  -2.125 32.049 -3.088  0.046  0.206  CO1  A1BEY 99  
A1BEY CPR1 C69 C  0 0 N N N N N N 16.088 -6.690 29.617 3.363   -5.076 -1.806 CPR1 A1BEY 100 
A1BEY CPR2 C70 C  0 0 N N R N N N 15.747 -6.954 28.152 4.336   -5.041 -0.626 CPR2 A1BEY 101 
A1BEY CPR3 C71 C  0 0 N N N N N N 16.963 -7.405 27.376 5.245   -6.270 -0.677 CPR3 A1BEY 102 
A1BEY H2   H2  H  0 1 N N N N N N 5.933  -4.498 35.578 -1.223  4.348  -1.035 H2   A1BEY 103 
A1BEY H3   H3  H  0 1 N N N N N N 10.165 -3.128 29.522 7.857   1.924  -1.739 H3   A1BEY 104 
A1BEY H4   H4  H  0 1 N N N N N N 8.133  1.597  33.780 -8.215  3.731  -2.284 H4   A1BEY 105 
A1BEY H5   H5  H  0 1 N N N N N N 7.888  3.670  32.352 -10.225 4.740  -3.283 H5   A1BEY 106 
A1BEY H6   H6  H  0 1 N N N N N N 6.938  5.731  33.371 -11.609 3.440  -4.849 H6   A1BEY 107 
A1BEY H7   H7  H  0 1 N N N N N N 6.039  5.704  35.699 -10.989 1.128  -5.418 H7   A1BEY 108 
A1BEY H8   H8  H  0 1 N N N N N N 6.210  3.614  37.052 -8.983  0.108  -4.422 H8   A1BEY 109 
A1BEY H9   H9  H  0 1 N N N N N N 6.797  0.728  29.235 -4.948  -1.299 3.805  H9   A1BEY 110 
A1BEY H11  H11 H  0 1 N N N N N N 11.707 0.958  29.840 -5.105  -4.283 0.062  H11  A1BEY 111 
A1BEY H13  H13 H  0 1 N N N N N N 11.254 -5.118 32.584 -0.066  -0.529 -2.963 H13  A1BEY 112 
A1BEY H14  H14 H  0 1 N N N N N N 10.046 -3.274 34.673 -2.727  0.859  -2.674 H14  A1BEY 113 
A1BEY H15  H15 H  0 1 N N N N N N 9.508  -6.365 32.774 0.736   0.007  -1.651 H15  A1BEY 114 
A1BEY H16  H16 H  0 1 N N N N N N 7.810  -6.049 32.282 0.745   0.961  -0.148 H16  A1BEY 115 
A1BEY H17  H17 H  0 1 N N N N N N 9.149  -5.107 31.543 -0.192  -0.550 -0.238 H17  A1BEY 116 
A1BEY H18  H18 H  0 1 N N N N N N 7.627  -6.790 36.152 1.412   1.944  -1.639 H18  A1BEY 117 
A1BEY H19  H19 H  0 1 N N N N N N 7.830  -7.178 34.410 0.828   1.742  -3.308 H19  A1BEY 118 
A1BEY H20  H20 H  0 1 N N N N N N 9.254  -6.701 35.396 1.130   3.373  -2.663 H20  A1BEY 119 
A1BEY H21  H21 H  0 1 N N N N N N 9.382  -4.555 36.397 -1.592  2.056  -3.818 H21  A1BEY 120 
A1BEY H22  H22 H  0 1 N N N N N N 8.380  -3.174 35.836 -2.615  2.938  -2.658 H22  A1BEY 121 
A1BEY H23  H23 H  0 1 N N N N N N 4.765  -5.329 33.327 1.000   2.708  0.266  H23  A1BEY 122 
A1BEY H24  H24 H  0 1 N N N N N N 6.228  -6.357 33.156 1.271   4.069  -0.849 H24  A1BEY 123 
A1BEY H25  H25 H  0 1 N N N N N N 5.747  -7.452 35.279 -0.061  5.530  0.726  H25  A1BEY 124 
A1BEY H26  H26 H  0 1 N N N N N N 4.335  -6.374 35.543 -0.106  4.167  1.870  H26  A1BEY 125 
A1BEY H27  H27 H  0 1 N N N N N N 4.509  -3.456 35.285 -1.352  5.029  1.296  H27  A1BEY 126 
A1BEY H28  H28 H  0 1 N N N N N N 4.360  -1.669 35.181 -2.803  4.871  2.314  H28  A1BEY 127 
A1BEY H29  H29 H  0 1 N N N N N N 3.406  -2.716 34.076 -1.225  4.312  2.920  H29  A1BEY 128 
A1BEY H30  H30 H  0 1 N N N N N N 2.820  -0.971 33.563 -1.760  3.842  4.163  H30  A1BEY 129 
A1BEY H31  H31 H  0 1 N N N N N N 2.413  -0.021 32.094 -2.411  2.849  5.490  H31  A1BEY 130 
A1BEY H32  H32 H  0 1 N N N N N N 2.789  -1.772 31.956 -1.294  2.130  4.304  H32  A1BEY 131 
A1BEY H33  H33 H  0 1 N N N N N N 4.944  0.441  34.193 -5.065  3.348  2.751  H33  A1BEY 132 
A1BEY H34  H34 H  0 1 N N N N N N 6.017  0.936  32.841 -3.789  4.509  3.186  H34  A1BEY 133 
A1BEY H35  H35 H  0 1 N N N N N N 3.064  -0.983 29.662 -3.128  1.371  6.057  H35  A1BEY 134 
A1BEY H36  H36 H  0 1 N N N N N N 4.081  -2.325 30.289 -2.186  0.328  4.965  H36  A1BEY 135 
A1BEY H37  H37 H  0 1 N N N N N N 5.778  -1.898 28.655 -4.969  -0.351 6.015  H37  A1BEY 136 
A1BEY H38  H38 H  0 1 N N N N N N 4.958  -0.392 28.121 -3.897  -1.410 5.067  H38  A1BEY 137 
A1BEY H39  H39 H  0 1 N N N N N N 9.891  1.936  31.383 -6.661  -4.320 1.983  H39  A1BEY 138 
A1BEY H40  H40 H  0 1 N N N N N N 10.301 2.987  29.985 -6.625  -2.837 2.967  H40  A1BEY 139 
A1BEY H41  H41 H  0 1 N N N N N N 8.582  2.708  30.426 -6.710  -2.726 1.192  H41  A1BEY 140 
A1BEY H42  H42 H  0 1 N N N N N N 8.138  1.971  28.074 -3.094  -3.889 3.150  H42  A1BEY 141 
A1BEY H43  H43 H  0 1 N N N N N N 9.862  2.133  27.596 -4.564  -3.525 4.085  H43  A1BEY 142 
A1BEY H44  H44 H  0 1 N N N N N N 9.012  0.567  27.372 -4.453  -5.039 3.155  H44  A1BEY 143 
A1BEY H45  H45 H  0 1 N N N N N N 10.407 -1.113 27.982 -2.641  -5.162 0.067  H45  A1BEY 144 
A1BEY H46  H46 H  0 1 N N N N N N 12.019 -1.385 28.726 -2.642  -4.721 1.792  H46  A1BEY 145 
A1BEY H47  H47 H  0 1 N N N N N N 11.201 0.675  26.652 -4.583  -6.178 2.191  H47  A1BEY 146 
A1BEY H48  H48 H  0 1 N N N N N N 12.475 -0.587 26.555 -4.670  -6.571 0.457  H48  A1BEY 147 
A1BEY H49  H49 H  0 1 N N N N N N 13.735 -1.813 31.473 -3.491  -5.070 -1.156 H49  A1BEY 148 
A1BEY H50  H50 H  0 1 N N N N N N 13.220 -1.104 29.905 -3.313  -4.403 -2.796 H50  A1BEY 149 
A1BEY H51  H51 H  0 1 N N N N N N 13.222 -0.093 31.390 -1.870  -4.723 -1.804 H51  A1BEY 150 
A1BEY H52  H52 H  0 1 N N N N N N 13.467 -3.101 34.965 -3.564  -1.118 -4.219 H52  A1BEY 151 
A1BEY H53  H53 H  0 1 N N N N N N 13.237 -1.577 34.043 -2.378  -1.862 -5.318 H53  A1BEY 152 
A1BEY H54  H54 H  0 1 N N N N N N 11.875 -2.270 34.986 -3.375  -2.888 -4.259 H54  A1BEY 153 
A1BEY H55  H55 H  0 1 N N N N N N 14.031 -4.629 33.088 -1.241  -3.925 -3.236 H55  A1BEY 154 
A1BEY H56  H56 H  0 1 N N N N N N 14.220 -3.109 32.150 -0.353  -2.938 -4.422 H56  A1BEY 155 
A1BEY H57  H57 H  0 1 N N N N N N 12.518 -4.082 30.511 0.857   -1.807 -2.581 H57  A1BEY 156 
A1BEY H58  H58 H  0 1 N N N N N N 12.739 -5.643 31.371 -0.040  -2.779 -1.389 H58  A1BEY 157 
A1BEY H59  H59 H  0 1 N N N N N N 12.946 -5.202 34.800 -2.297  0.269  -4.898 H59  A1BEY 158 
A1BEY H60  H60 H  0 1 N N N N N N 11.292 -5.338 35.488 -0.808  1.198  -4.601 H60  A1BEY 159 
A1BEY H61  H61 H  0 1 N N N N N N 4.584  0.707  30.508 -4.993  1.355  4.322  H61  A1BEY 160 
A1BEY H62  H62 H  0 1 N N N N N N 5.589  -3.798 31.297 12.826  2.062  -2.174 H62  A1BEY 161 
A1BEY H63  H63 H  0 1 N N N N N N 6.816  -5.885 26.907 10.851  1.081  2.250  H63  A1BEY 162 
A1BEY H64  H64 H  0 1 N N N N N N 9.068  -5.070 26.389 8.399   1.742  2.001  H64  A1BEY 163 
A1BEY H65  H65 H  0 1 N N N N N N 9.829  -6.968 27.533 7.965   -0.498 2.240  H65  A1BEY 164 
A1BEY H66  H66 H  0 1 N N N N N N 11.535 -6.387 26.008 5.679   -0.385 1.704  H66  A1BEY 165 
A1BEY H67  H67 H  0 1 N N N N N N 12.491 -4.260 27.962 6.400   0.792  -1.040 H67  A1BEY 166 
A1BEY H68  H68 H  0 1 N N N N N N 12.226 -4.286 24.961 3.974   0.405  -0.303 H68  A1BEY 167 
A1BEY H69  H69 H  0 1 N N N N N N 13.736 -4.505 25.909 4.267   1.574  1.007  H69  A1BEY 168 
A1BEY H70  H70 H  0 1 N N N N N N 6.822  1.464  37.298 -6.803  0.643  -3.236 H70  A1BEY 169 
A1BEY H71  H71 H  0 1 N N N N N N 6.399  -3.375 38.645 -2.632  4.232  -5.021 H71  A1BEY 170 
A1BEY H72  H72 H  0 1 N N N N N N 7.158  -2.434 37.405 -1.559  5.525  -5.058 H72  A1BEY 171 
A1BEY H73  H73 H  0 1 N N N N N N 3.771  -9.841 33.809 1.167   6.248  3.015  H73  A1BEY 172 
A1BEY H74  H74 H  0 1 N N N N N N 5.202  -9.400 34.681 2.839   6.115  2.921  H74  A1BEY 173 
A1BEY H75  H75 H  0 1 N N N N N N 3.098  3.342  33.840 -6.015  5.412  4.293  H75  A1BEY 174 
A1BEY H76  H76 H  0 1 N N N N N N 3.457  1.931  34.778 -6.219  4.939  5.892  H76  A1BEY 175 
A1BEY H77  H77 H  0 1 N N N N N N 2.419  -3.305 27.193 -4.527  -2.629 7.386  H77  A1BEY 176 
A1BEY H78  H78 H  0 1 N N N N N N 2.380  -2.188 28.516 -3.329  -2.460 8.551  H78  A1BEY 177 
A1BEY H79  H79 H  0 1 N N N N N N 13.373 3.076  27.646 -4.369  -8.869 1.768  H79  A1BEY 178 
A1BEY H80  H80 H  0 1 N N N N N N 11.746 2.624  27.257 -2.777  -9.406 1.737  H80  A1BEY 179 
A1BEY H81  H81 H  0 1 N N N N N N 14.392 -6.862 30.854 2.506   -3.321 -0.973 H81  A1BEY 180 
A1BEY H82  H82 H  0 1 N N N N N N 10.200 -7.971 33.501 -1.518  0.135  -7.248 H82  A1BEY 181 
A1BEY H83  H83 H  0 1 N N N N N N 10.018 -6.949 34.888 -0.366  -1.023 -7.641 H83  A1BEY 182 
A1BEY H84  H84 H  0 1 N N N N N N 12.579 -9.715 26.741 6.550   -3.750 1.785  H84  A1BEY 183 
A1BEY H85  H85 H  0 1 N N N N N N 9.679  -6.047 29.633 9.586   -0.814 0.485  H85  A1BEY 184 
A1BEY H86  H86 H  0 1 N N N N N N 13.503 -2.389 25.068 3.380   2.580  -1.004 H86  A1BEY 185 
A1BEY H87  H87 H  0 1 N N N N N N 3.479  -6.071 30.778 15.041  2.683  -0.109 H87  A1BEY 186 
A1BEY H88  H88 H  0 1 N N N N N N 3.226  -4.293 30.750 15.152  0.989  0.428  H88  A1BEY 187 
A1BEY H89  H89 H  0 1 N N N N N N 2.800  -5.284 29.313 14.955  1.364  -1.301 H89  A1BEY 188 
A1BEY H90  H90 H  0 1 N N N N N N 4.311  -7.448 27.860 13.756  2.038  2.798  H90  A1BEY 189 
A1BEY H91  H91 H  0 1 N N N N N N 3.253  -6.001 27.742 13.056  0.413  2.990  H91  A1BEY 190 
A1BEY H92  H92 H  0 1 N N N N N N 4.515  -6.295 26.497 14.479  0.651  1.948  H92  A1BEY 191 
A1BEY H10  H10 H  0 1 N N N N N N 16.428 -7.624 30.088 2.830   -6.026 -1.809 H10  A1BEY 192 
A1BEY H12  H12 H  0 1 N N N N N N 16.887 -5.937 29.677 3.919   -4.969 -2.738 H12  A1BEY 193 
A1BEY H1   H1  H  0 1 N N N N N N 15.355 -6.029 27.704 3.774   -5.043 0.308  H1   A1BEY 194 
A1BEY H95  H95 H  0 1 N N N N N N 17.724 -6.611 27.393 4.638   -7.174 -0.620 H95  A1BEY 195 
A1BEY H93  H93 H  0 1 N N N N N N 17.373 -8.316 27.835 5.807   -6.268 -1.611 H93  A1BEY 196 
A1BEY H94  H94 H  0 1 N N N N N N 16.676 -7.616 26.335 5.938   -6.245 0.164  H94  A1BEY 197 
# 
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 
A1BEY OP4  P1   DOUB N N 1   
A1BEY OR8  CR5  SING N N 2   
A1BEY CR5  CR4  SING N N 3   
A1BEY O44  C43  DOUB N N 4   
A1BEY CR4  CR3  SING N N 5   
A1BEY CR4  OR6  SING N N 6   
A1BEY CR3  OP2  SING N N 7   
A1BEY CR3  CR2  SING N N 8   
A1BEY OR6  CR1  SING N N 9   
A1BEY P1   OP5  SING N N 10  
A1BEY P1   OP2  SING N N 11  
A1BEY P1   OP3  SING N N 12  
A1BEY C49  C50  SING N N 13  
A1BEY C49  C48  SING N N 14  
A1BEY CR1  CR2  SING N N 15  
A1BEY CR1  NB1  SING N N 16  
A1BEY CPR3 CPR2 SING N N 17  
A1BEY C43  N45  SING N N 18  
A1BEY C43  C42  SING N N 19  
A1BEY N52  C50  SING N N 20  
A1BEY CB11 CB6  SING N N 21  
A1BEY C50  O51  DOUB N N 22  
A1BEY CR2  OR7  SING N N 23  
A1BEY CB7  CB6  DOUB Y N 24  
A1BEY CB7  CB8  SING Y N 25  
A1BEY C47  C12  SING N N 26  
A1BEY CPR2 OP3  SING N N 27  
A1BEY CPR2 CPR1 SING N N 28  
A1BEY NB1  CB8  SING Y N 29  
A1BEY NB1  CB2  SING Y N 30  
A1BEY C48  C13  SING N N 31  
A1BEY CB6  CB5  SING Y N 32  
A1BEY C42  C41  SING N N 33  
A1BEY CB8  CB9  DOUB Y N 34  
A1BEY CB2  NB3  DOUB Y N 35  
A1BEY C12  C13  SING N N 36  
A1BEY C12  C11  SING N N 37  
A1BEY C12  C46  SING N N 38  
A1BEY C13  C14  SING N N 39  
A1BEY CB5  CB10 SING N N 40  
A1BEY CB5  CB4  DOUB Y N 41  
A1BEY CPR1 N59  SING N N 42  
A1BEY O58  C57  DOUB N N 43  
A1BEY CB9  NB3  SING Y N 44  
A1BEY CB9  CB4  SING Y N 45  
A1BEY C41  C8   SING N N 46  
A1BEY C10  C11  SING N N 47  
A1BEY C10  C9   DOUB N N 48  
A1BEY C11  N23  DOUB N N 49  
A1BEY C57  N59  SING N N 50  
A1BEY C57  C56  SING N N 51  
A1BEY C14  N23  SING N N 52  
A1BEY C14  C15  DOUB N N 53  
A1BEY C8   C9   SING N N 54  
A1BEY C8   C7   SING N N 55  
A1BEY C9   N22  SING N N 56  
A1BEY N23  CO1  SING N N 57  
A1BEY C53  C15  SING N N 58  
A1BEY C56  C55  SING N N 59  
A1BEY C15  C16  SING N N 60  
A1BEY N22  CO1  SING N N 61  
A1BEY N22  C6   DOUB N N 62  
A1BEY O39  C38  DOUB N N 63  
A1BEY CO1  N24  SING N N 64  
A1BEY CO1  N21  SING N N 65  
A1BEY CO1  C1L  SING N N 66  
A1BEY C16  N24  DOUB N N 67  
A1BEY C16  C17  SING N N 68  
A1BEY C7   C36  SING N N 69  
A1BEY C7   C6   SING N N 70  
A1BEY C7   C37  SING N N 71  
A1BEY C55  C17  SING N N 72  
A1BEY C20  C1   SING N N 73  
A1BEY N24  C19  SING N N 74  
A1BEY C6   C5   SING N N 75  
A1BEY C38  C37  SING N N 76  
A1BEY C38  N40  SING N N 77  
A1BEY O62  C61  DOUB N N 78  
A1BEY C17  C18  SING N N 79  
A1BEY C17  C54  SING N N 80  
A1BEY N21  C1   SING N N 81  
A1BEY N21  C4   SING N N 82  
A1BEY C03  C04  DOUB Y N 83  
A1BEY C03  C02  SING Y N 84  
A1BEY O33  C32  DOUB N N 85  
A1BEY C18  C19  SING N N 86  
A1BEY C18  C60  SING N N 87  
A1BEY C1   C19  SING N N 88  
A1BEY C1   C2   SING N N 89  
A1BEY C1L  C2L  TRIP N N 90  
A1BEY C5   C4   DOUB N N 91  
A1BEY C5   C35  SING N N 92  
A1BEY C4   C3   SING N N 93  
A1BEY C30  C3   SING N N 94  
A1BEY C30  C31  SING N N 95  
A1BEY C04  C05  SING Y N 96  
A1BEY C61  N63  SING N N 97  
A1BEY C61  C60  SING N N 98  
A1BEY C32  N34  SING N N 99  
A1BEY C32  C31  SING N N 100 
A1BEY C02  C07  DOUB Y N 101 
A1BEY C3   C2   SING N N 102 
A1BEY C2L  C01  SING N N 103 
A1BEY C2   C25  SING N N 104 
A1BEY C2   C26  SING N N 105 
A1BEY C05  C06  DOUB Y N 106 
A1BEY C07  C06  SING Y N 107 
A1BEY C07  N01  SING N N 108 
A1BEY C01  N01  SING N N 109 
A1BEY C01  O01  DOUB N N 110 
A1BEY C26  C27  SING N N 111 
A1BEY C27  O28  DOUB N N 112 
A1BEY C27  N29  SING N N 113 
A1BEY C3   H2   SING N N 114 
A1BEY CB2  H3   SING N N 115 
A1BEY C02  H4   SING N N 116 
A1BEY C03  H5   SING N N 117 
A1BEY C04  H6   SING N N 118 
A1BEY C05  H7   SING N N 119 
A1BEY C06  H8   SING N N 120 
A1BEY C10  H9   SING N N 121 
A1BEY C13  H11  SING N N 122 
A1BEY C18  H13  SING N N 123 
A1BEY C19  H14  SING N N 124 
A1BEY C20  H15  SING N N 125 
A1BEY C20  H16  SING N N 126 
A1BEY C20  H17  SING N N 127 
A1BEY C25  H18  SING N N 128 
A1BEY C25  H19  SING N N 129 
A1BEY C25  H20  SING N N 130 
A1BEY C26  H21  SING N N 131 
A1BEY C26  H22  SING N N 132 
A1BEY C30  H23  SING N N 133 
A1BEY C30  H24  SING N N 134 
A1BEY C31  H25  SING N N 135 
A1BEY C31  H26  SING N N 136 
A1BEY C35  H27  SING N N 137 
A1BEY C35  H28  SING N N 138 
A1BEY C35  H29  SING N N 139 
A1BEY C36  H30  SING N N 140 
A1BEY C36  H31  SING N N 141 
A1BEY C36  H32  SING N N 142 
A1BEY C37  H33  SING N N 143 
A1BEY C37  H34  SING N N 144 
A1BEY C41  H35  SING N N 145 
A1BEY C41  H36  SING N N 146 
A1BEY C42  H37  SING N N 147 
A1BEY C42  H38  SING N N 148 
A1BEY C46  H39  SING N N 149 
A1BEY C46  H40  SING N N 150 
A1BEY C46  H41  SING N N 151 
A1BEY C47  H42  SING N N 152 
A1BEY C47  H43  SING N N 153 
A1BEY C47  H44  SING N N 154 
A1BEY C48  H45  SING N N 155 
A1BEY C48  H46  SING N N 156 
A1BEY C49  H47  SING N N 157 
A1BEY C49  H48  SING N N 158 
A1BEY C53  H49  SING N N 159 
A1BEY C53  H50  SING N N 160 
A1BEY C53  H51  SING N N 161 
A1BEY C54  H52  SING N N 162 
A1BEY C54  H53  SING N N 163 
A1BEY C54  H54  SING N N 164 
A1BEY C55  H55  SING N N 165 
A1BEY C55  H56  SING N N 166 
A1BEY C56  H57  SING N N 167 
A1BEY C56  H58  SING N N 168 
A1BEY C60  H59  SING N N 169 
A1BEY C60  H60  SING N N 170 
A1BEY C8   H61  SING N N 171 
A1BEY CB4  H62  SING N N 172 
A1BEY CB7  H63  SING N N 173 
A1BEY CR1  H64  SING N N 174 
A1BEY CR2  H65  SING N N 175 
A1BEY CR3  H66  SING N N 176 
A1BEY CR4  H67  SING N N 177 
A1BEY CR5  H68  SING N N 178 
A1BEY CR5  H69  SING N N 179 
A1BEY N01  H70  SING N N 180 
A1BEY N29  H71  SING N N 181 
A1BEY N29  H72  SING N N 182 
A1BEY N34  H73  SING N N 183 
A1BEY N34  H74  SING N N 184 
A1BEY N40  H75  SING N N 185 
A1BEY N40  H76  SING N N 186 
A1BEY N45  H77  SING N N 187 
A1BEY N45  H78  SING N N 188 
A1BEY N52  H79  SING N N 189 
A1BEY N52  H80  SING N N 190 
A1BEY N59  H81  SING N N 191 
A1BEY N63  H82  SING N N 192 
A1BEY N63  H83  SING N N 193 
A1BEY OP5  H84  SING N N 194 
A1BEY OR7  H85  SING N N 195 
A1BEY OR8  H86  SING N N 196 
A1BEY CB10 H87  SING N N 197 
A1BEY CB10 H88  SING N N 198 
A1BEY CB10 H89  SING N N 199 
A1BEY CB11 H90  SING N N 200 
A1BEY CB11 H91  SING N N 201 
A1BEY CB11 H92  SING N N 202 
A1BEY CPR1 H10  SING N N 203 
A1BEY CPR1 H12  SING N N 204 
A1BEY CPR2 H1   SING N N 205 
A1BEY CPR3 H95  SING N N 206 
A1BEY CPR3 H93  SING N N 207 
A1BEY CPR3 H94  SING N N 208 
# 
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 
A1BEY InChI            InChI                1.06    "InChI=1S/C62H90N13O14P.C9H6NO.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;1-2-9(11)10-8-6-4-3-5-7-8;/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);3-7H,(H,10,11);/q;;+4/p-1/t31-,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;;/m1../s1" 
A1BEY InChIKey         InChI                1.06    MJGMVYJNDXUBSX-WZHZPDAFSA-M                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                    
A1BEY SMILES_CANONICAL CACTVS               3.385   "C[C@H](CNC(=O)CC[C@]1(C)[C@@H](CC(N)=O)[C@H]2[N@@+]3=C1C(=C4[C@@H](CCC(N)=O)C(C)(C)C5=[N@@+]4[Co]36(C#CC(=O)Nc7ccccc7)[N@@]8C(=C(C)C9=[N@+]6C(=C5)[C@@H](CCC(N)=O)[C@]9(C)CC(N)=O)[C@@H](CCC(N)=O)[C@](C)(CC(N)=O)[C@]28C)C)O[P](O)(=O)O[C@H]%10[C@@H](O)[C@H](O[C@@H]%10CO)n%11cnc%12cc(C)c(C)cc%11%12"                                                                                                                                                                                                                                                                                      
A1BEY SMILES           CACTVS               3.385   "C[CH](CNC(=O)CC[C]1(C)[CH](CC(N)=O)[CH]2[N+]3=C1C(=C4[CH](CCC(N)=O)C(C)(C)C5=[N+]4[Co]36(C#CC(=O)Nc7ccccc7)[N]8C(=C(C)C9=[N+]6C(=C5)[CH](CCC(N)=O)[C]9(C)CC(N)=O)[CH](CCC(N)=O)[C](C)(CC(N)=O)[C]28C)C)O[P](O)(=O)O[CH]%10[CH](O)[CH](O[CH]%10CO)n%11cnc%12cc(C)c(C)cc%11%12"                                                                                                                                                                                                                                                                                                                 
A1BEY SMILES_CANONICAL "OpenEye OEToolkits" 3.1.0.0 "Cc1cc2c(cc1C)n(cn2)[C@@H]3[C@@H]([C@@H]([C@H](O3)CO)OP(=O)(O)OC(C)CNC(=O)CC[C@@]4([C@H]([C@@H]5[C@]6([C@@]([C@@H](C7=C(C8=[N+]9C(=CC1=[N+]2[Co]9(N76)([N+]5=C4C(=C2[C@H](C1(C)C)CCC(=O)N)C)C#CC(=O)Nc1ccccc1)[C@H]([C@]8(C)CC(=O)N)CCC(=O)N)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O"                                                                                                                                                                                                                                                                                                              
A1BEY SMILES           "OpenEye OEToolkits" 3.1.0.0 "Cc1cc2c(cc1C)n(cn2)C3C(C(C(O3)CO)OP(=O)(O)OC(C)CNC(=O)CCC4(C(C5C6(C(C(C7=C(C8=[N+]9C(=CC1=[N+]2[Co]9(N76)([N+]5=C4C(=C2C(C1(C)C)CCC(=O)N)C)C#CC(=O)Nc1ccccc1)C(C8(C)CC(=O)N)CCC(=O)N)C)CCC(=O)N)(C)CC(=O)N)C)CC(=O)N)C)O"                                                                                                                                                                                                                                                                                                                                                                     
# 
_pdbx_chem_comp_identifier.comp_id           A1BEY 
_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] 1-[3-[(3~{R},4~{R},5~{R},9~{S},14~{S},15~{S},19~{S},20~{S},21~{R})-4,15,20-tris(2-azanyl-2-oxidanylidene-ethyl)-9,14,19-tris(3-azanyl-3-oxidanylidene-propyl)-5,7,10,10,15,17,20,21-octamethyl-1-(3-oxidanylidene-3-phenylazanyl-prop-1-ynyl)-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 
A1BEY "Create component"   2024-11-01 RCSB 
A1BEY "Other modification" 2024-11-01 RCSB 
A1BEY "Modify charge"      2024-12-09 RCSB 
A1BEY "Initial release"    2025-09-24 RCSB 
# 
_pdbx_chem_comp_synonyms.ordinal      1 
_pdbx_chem_comp_synonyms.comp_id      A1BEY 
_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] 1-[3-[(3~{R},4~{R},5~{R},9~{S},14~{S},15~{S},19~{S},20~{S},21~{R})-4,15,20-tris(2-azanyl-2-oxidanylidene-ethyl)-9,14,19-tris(3-azanyl-3-oxidanylidene-propyl)-5,7,10,10,15,17,20,21-octamethyl-1-(3-oxidanylidene-3-phenylazanyl-prop-1-ynyl)-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         ? 
# 
