data_A1BEU
# 
_chem_comp.id                                    A1BEU 
_chem_comp.name                                  "ethynyl-4,1'-biphenyl-cobalamin" 
_chem_comp.type                                  non-polymer 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C76 H98 Co N13 O14 P" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         "[(2~{R},3~{S},4~{R},5~{S})-5-[5,6-di(methyl)benzimidazol-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-[2-(4-phenylphenyl)ethynyl]-2$l^{4},22,23$l^{4},24$l^{4}-tetraza-1$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                        1507.577 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     A1BEU 
_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        9E5M 
_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 
A1BEU C4   C1  C  0 1 N N N N N N 13.793 3.884  33.918 -1.291  -2.470 -0.383 C4   A1BEU 1   
A1BEU C3   C2  C  0 1 N N S N N N 13.927 5.128  34.777 -0.539  -3.306 0.604  C3   A1BEU 2   
A1BEU C2   C3  C  0 1 N N S N N N 12.423 5.434  35.018 -0.492  -2.434 1.877  C2   A1BEU 3   
A1BEU C1   C4  C  0 1 N N R N N N 11.681 4.885  33.742 -0.781  -1.037 1.312  C1   A1BEU 4   
A1BEU NB1  N1  N  0 1 Y N N N N N 11.449 4.800  28.521 8.540   -2.068 -0.381 NB1  A1BEU 5   
A1BEU CB2  C5  C  0 1 Y N N N N N 11.066 3.998  29.568 7.848   -2.698 0.607  CB2  A1BEU 6   
A1BEU NB3  N2  N  0 1 Y N N N N N 12.056 3.828  30.423 8.668   -3.337 1.389  NB3  A1BEU 7   
A1BEU C01  C6  C  0 1 Y N N N N N 14.213 -5.029 36.040 -10.529 -2.625 2.058  C01  A1BEU 8   
A1BEU C02  C7  C  0 1 Y N N N N N 15.217 -5.027 37.029 -11.023 -2.359 3.334  C02  A1BEU 9   
A1BEU C03  C8  C  0 1 Y N N N N N 15.711 -6.230 37.587 -12.278 -2.808 3.692  C03  A1BEU 10  
A1BEU C04  C9  C  0 1 Y N N N N N 15.245 -7.483 37.130 -13.045 -3.521 2.789  C04  A1BEU 11  
A1BEU C05  C10 C  0 1 Y N N N N N 14.232 -7.491 36.158 -12.559 -3.789 1.521  C05  A1BEU 12  
A1BEU C06  C11 C  0 1 Y N N N N N 13.739 -6.271 35.612 -11.307 -3.345 1.151  C06  A1BEU 13  
A1BEU C10  C12 C  0 1 N N N N N N 13.108 0.328  30.074 -3.586  1.545  -3.007 C10  A1BEU 14  
A1BEU C11  C13 C  0 1 N N N N N N 11.735 0.293  30.308 -3.516  2.326  -1.861 C11  A1BEU 15  
A1BEU C12  C14 C  0 1 N N N N N N 10.804 -0.622 29.534 -3.955  3.774  -1.895 C12  A1BEU 16  
A1BEU C13  C15 C  0 1 N N S N N N 9.424  0.119  29.708 -3.557  4.276  -0.516 C13  A1BEU 17  
A1BEU C14  C16 C  0 1 N N N N N N 9.673  1.092  30.857 -2.998  3.024  0.143  C14  A1BEU 18  
A1BEU C15  C17 C  0 1 N N N N N N 8.702  1.872  31.460 -2.483  3.164  1.407  C15  A1BEU 19  
A1BEU C16  C18 C  0 1 N N N N N N 9.062  2.839  32.485 -2.037  1.994  2.034  C16  A1BEU 20  
A1BEU C17  C19 C  0 1 N N R N N N 8.077  3.656  33.353 -1.536  1.797  3.433  C17  A1BEU 21  
A1BEU C18  C20 C  0 1 N N R N N N 9.025  4.796  33.827 -0.919  0.382  3.403  C18  A1BEU 22  
A1BEU C19  C21 C  0 1 N N R N N N 10.377 4.092  33.981 -1.686  -0.231 2.225  C19  A1BEU 23  
A1BEU C1L  C22 C  0 1 N N N N N N 11.898 1.062  33.479 -4.307  -0.379 0.236  C1L  A1BEU 24  
A1BEU C20  C23 C  0 1 N N N N N N 11.492 5.918  32.618 0.510   -0.287 0.998  C20  A1BEU 25  
A1BEU C25  C24 C  0 1 N N N N N N 12.026 6.903  35.321 0.898   -2.478 2.505  C25  A1BEU 26  
A1BEU C26  C25 C  0 1 N N N N N N 12.040 4.630  36.267 -1.554  -2.855 2.881  C26  A1BEU 27  
A1BEU C27  C26 C  0 1 N N N N N N 12.936 4.785  37.489 -1.211  -4.214 3.436  C27  A1BEU 28  
A1BEU C2L  C27 C  0 1 N N N N N N 12.049 -0.090 34.030 -5.372  -0.763 0.548  C2L  A1BEU 29  
A1BEU C30  C28 C  0 1 N N N N N N 14.743 6.226  34.071 0.874   -3.573 0.086  C30  A1BEU 30  
A1BEU C31  C29 C  0 1 N N N N N N 15.443 7.150  35.078 0.801   -4.445 -1.169 C31  A1BEU 31  
A1BEU C32  C30 C  0 1 N N N N N N 16.252 8.233  34.390 2.188   -4.892 -1.552 C32  A1BEU 32  
A1BEU C35  C31 C  0 1 N N N N N N 16.064 3.099  34.654 -1.400  -4.034 -2.316 C35  A1BEU 33  
A1BEU C36  C32 C  0 1 N N N N N N 17.313 1.286  32.605 -1.347  -2.287 -4.605 C36  A1BEU 34  
A1BEU C37  C33 C  0 1 N N N N N N 15.506 -0.354 33.184 -3.655  -2.984 -3.911 C37  A1BEU 35  
A1BEU C38  C34 C  0 1 N N N N N N 16.504 -1.428 32.892 -4.203  -3.023 -5.314 C38  A1BEU 36  
A1BEU C3L  C35 C  0 1 Y N N N N N 12.559 -1.356 34.593 -6.670  -1.232 0.928  C3L  A1BEU 37  
A1BEU C41  C36 C  0 1 N N N N N N 16.183 1.817  29.838 -2.246  0.055  -5.352 C41  A1BEU 38  
A1BEU C42  C37 C  0 1 N N N N N N 15.437 1.882  28.516 -2.780  1.438  -5.730 C42  A1BEU 39  
A1BEU C43  C38 C  0 1 N N N N N N 16.135 2.746  27.532 -1.958  2.003  -6.859 C43  A1BEU 40  
A1BEU C46  C39 C  0 1 N N N N N N 10.803 -1.955 30.345 -5.463  3.872  -2.103 C46  A1BEU 41  
A1BEU C47  C40 C  0 1 N N N N N N 11.282 -0.965 28.114 -3.212  4.531  -2.992 C47  A1BEU 42  
A1BEU C48  C41 C  0 1 N N N N N N 8.968  0.992  28.509 -2.465  5.340  -0.618 C48  A1BEU 43  
A1BEU C49  C42 C  0 1 N N N N N N 8.289  0.212  27.370 -3.108  6.708  -0.859 C49  A1BEU 44  
A1BEU C4L  C43 C  0 1 Y N N N N N 12.739 -2.521 33.782 -7.445  -1.958 0.020  C4L  A1BEU 45  
A1BEU C5   C44 C  0 1 N N N N N N 14.867 2.917  33.725 -1.648  -2.710 -1.657 C5   A1BEU 46  
A1BEU C50  C45 C  0 1 N N N N N N 7.343  -0.769 27.963 -2.029  7.741  -1.060 C50  A1BEU 47  
A1BEU C53  C46 C  0 1 N N N N N N 7.228  1.483  31.277 -2.396  4.504  2.077  C53  A1BEU 48  
A1BEU C54  C47 C  0 1 N N N N N N 7.624  2.771  34.577 -2.694  1.862  4.425  C54  A1BEU 49  
A1BEU C55  C48 C  0 1 N N N N N N 6.842  4.262  32.638 -0.479  2.841  3.773  C55  A1BEU 50  
A1BEU C56  C49 C  0 1 N N N N N N 7.158  4.980  31.320 0.697   2.710  2.803  C56  A1BEU 51  
A1BEU C57  C50 C  0 1 N N N N N N 5.887  5.307  30.567 1.787   3.672  3.203  C57  A1BEU 52  
A1BEU C5L  C51 C  0 1 Y N N N N N 13.266 -3.735 34.230 -8.693  -2.409 0.387  C5L  A1BEU 53  
A1BEU C6   C52 C  0 1 N N N N N N 14.799 1.963  32.733 -2.237  -1.634 -2.353 C6   A1BEU 54  
A1BEU C60  C53 C  0 1 N N N N N N 8.493  5.491  35.094 -1.219  -0.372 4.695  C60  A1BEU 55  
A1BEU C61  C54 C  0 1 N N N N N N 8.435  7.010  34.938 -0.521  0.306  5.846  C61  A1BEU 56  
A1BEU C6L  C55 C  0 1 Y N N N N N 13.705 -3.857 35.546 -9.184  -2.140 1.664  C6L  A1BEU 57  
A1BEU C7   C56 C  0 1 N N S N N N 15.871 0.910  32.340 -2.588  -1.895 -3.811 C7   A1BEU 58  
A1BEU C7L  C57 C  0 1 Y N N N N N 13.580 -2.769 36.397 -8.412  -1.415 2.571  C7L  A1BEU 59  
A1BEU C8   C58 C  0 1 N N S N N N 15.573 0.762  30.817 -3.139  -0.559 -4.278 C8   A1BEU 60  
A1BEU C8L  C59 C  0 1 Y N N N N N 13.033 -1.550 35.925 -7.161  -0.969 2.208  C8L  A1BEU 61  
A1BEU C9   C60 C  0 1 N N N N N N 14.054 1.020  30.822 -3.095  0.263  -3.008 C9   A1BEU 62  
A1BEU CB4  C61 C  0 1 Y N N N N N 14.433 4.761  30.419 11.186  -3.612 1.409  CB4  A1BEU 63  
A1BEU CB5  C62 C  0 1 Y N N N N N 15.316 5.565  29.683 12.323  -3.256 0.742  CB5  A1BEU 64  
A1BEU CB6  C63 C  0 1 Y N N N N N 14.922 6.179  28.488 12.260  -2.449 -0.385 CB6  A1BEU 65  
A1BEU CB7  C64 C  0 1 Y N N N N N 13.623 5.982  27.994 11.045  -1.993 -0.850 CB7  A1BEU 66  
A1BEU CB8  C65 C  0 1 Y N N N N N 12.742 5.174  28.763 9.878   -2.345 -0.186 CB8  A1BEU 67  
A1BEU CB9  C66 C  0 1 Y N N N N N 13.143 4.553  29.927 9.943   -3.162 0.956  CB9  A1BEU 68  
A1BEU CR1  C67 C  0 1 N N S N N N 10.601 5.270  27.435 7.970   -1.253 -1.456 CR1  A1BEU 69  
A1BEU CR2  C68 C  0 1 N N R N N N 9.834  6.516  28.006 8.004   0.236  -1.060 CR2  A1BEU 70  
A1BEU CR3  C69 C  0 1 N N S N N N 8.505  6.459  27.283 6.514   0.651  -1.015 CR3  A1BEU 71  
A1BEU CR4  C70 C  0 1 N N R N N N 8.279  4.954  27.222 5.801   -0.715 -0.849 CR4  A1BEU 72  
A1BEU CR5  C71 C  0 1 N N N N N N 7.457  4.468  26.080 4.365   -0.640 -1.373 CR5  A1BEU 73  
A1BEU N21  N3  N  0 1 N N N N N N 12.638 3.796  33.326 -1.593  -1.226 0.111  N21  A1BEU 74  
A1BEU N22  N4  N  0 1 N N N N N N 13.726 1.880  31.838 -2.595  -0.419 -1.963 N22  A1BEU 75  
A1BEU N23  N5  N  0 1 N N N N N N 11.056 1.271  31.005 -3.068  1.960  -0.667 N23  A1BEU 76  
A1BEU N24  N6  N  0 1 N N N N N N 10.283 3.119  32.860 -2.099  0.874  1.353  N24  A1BEU 77  
A1BEU N29  N7  N  0 1 N N N N N N 13.050 5.999  37.977 -2.016  -4.792 4.349  N29  A1BEU 78  
A1BEU N34  N8  N  0 1 N N N N N N 15.911 9.526  34.607 2.370   -5.675 -2.634 N34  A1BEU 79  
A1BEU N40  N9  N  0 1 N N N N N N 17.160 -1.961 33.911 -5.233  -3.840 -5.613 N40  A1BEU 80  
A1BEU N45  N10 N  0 1 N N N N N N 17.418 3.001  27.678 -2.248  3.220  -7.361 N45  A1BEU 81  
A1BEU N52  N11 N  0 1 N N N N N N 6.127  -0.302 28.068 -2.358  9.042  -1.187 N52  A1BEU 82  
A1BEU N59  N12 N  0 1 N N N N N N 5.407  6.544  30.610 2.859   3.844  2.405  N59  A1BEU 83  
A1BEU N63  N13 N  0 1 N N N N N N 8.335  7.687  36.054 -0.868  0.009  7.114  N63  A1BEU 84  
A1BEU O28  O1  O  0 1 N N N N N N 13.400 3.772  38.077 -0.210  -4.787 3.060  O28  A1BEU 85  
A1BEU O33  O2  O  0 1 N N N N N N 17.056 7.901  33.539 3.142   -4.547 -0.886 O33  A1BEU 86  
A1BEU O39  O3  O  0 1 N N N N N N 16.419 -2.049 31.812 -3.719  -2.318 -6.174 O39  A1BEU 87  
A1BEU O44  O4  O  0 1 N N N N N N 15.497 3.291  26.610 -1.036  1.363  -7.317 O44  A1BEU 88  
A1BEU O51  O5  O  0 1 N N N N N N 7.601  -1.981 27.780 -0.866  7.402  -1.107 O51  A1BEU 89  
A1BEU O58  O6  O  0 1 N N N N N N 5.369  4.393  29.887 1.699   4.290  4.242  O58  A1BEU 90  
A1BEU O62  O7  O  0 1 N N N N N N 8.483  7.618  33.854 0.354   1.118  5.630  O62  A1BEU 91  
A1BEU OP2  O8  O  0 1 N N N N N N 7.390  7.018  28.029 6.254   1.501  0.105  OP2  A1BEU 92  
A1BEU OP3  O9  O  0 1 N N N N N N 5.423  8.374  28.489 5.496   3.651  1.414  OP3  A1BEU 93  
A1BEU OP4  O10 O  0 1 N N N N N N 6.227  8.075  26.123 4.454   3.023  -0.798 OP4  A1BEU 94  
A1BEU OP5  O11 O  0 1 N N N N N N 7.484  9.592  27.629 6.826   3.886  -0.842 OP5  A1BEU 95  
A1BEU OR6  O12 O  0 1 N N N N N N 9.589  4.310  27.223 6.592   -1.609 -1.662 OR6  A1BEU 96  
A1BEU OR7  O13 O  0 1 N N N N N N 9.616  6.459  29.422 8.607   0.397  0.226  OR7  A1BEU 97  
A1BEU OR8  O14 O  0 1 N N N N N N 7.426  3.044  25.971 3.709   -1.889 -1.145 OR8  A1BEU 98  
A1BEU P1   P1  P  0 1 N N N N N N 6.658  8.343  27.484 5.730   3.015  -0.047 P1   A1BEU 99  
A1BEU CB10 C72 C  0 0 N N N N N N 16.711 5.774  30.182 13.661  -3.744 1.236  CB10 A1BEU 100 
A1BEU CB11 C73 C  0 0 N N N N N N 15.940 7.026  27.754 13.528  -2.068 -1.105 CB11 A1BEU 101 
A1BEU CO1  CO1 CO 2 0 N N N N N N 11.936 2.494  32.198 -2.594  0.239  -0.266 CO1  A1BEU 102 
A1BEU CPR1 C74 C  0 0 N N N N N N 4.203  6.928  29.905 3.872   4.846  2.746  CPR1 A1BEU 103 
A1BEU CPR2 C75 C  0 0 N N R N N N 4.487  7.269  28.443 4.902   4.935  1.618  CPR2 A1BEU 104 
A1BEU CPR3 C76 C  0 0 N N N N N N 3.214  7.686  27.754 5.988   5.944  1.997  CPR3 A1BEU 105 
A1BEU H1   H1  H  0 1 N N N N N N 14.405 4.872  35.734 -1.057  -4.237 0.794  H1   A1BEU 106 
A1BEU H2   H2  H  0 1 N N N N N N 10.083 3.564  29.677 6.775   -2.670 0.725  H2   A1BEU 107 
A1BEU H3   H3  H  0 1 N N N N N N 15.619 -4.084 37.369 -10.425 -1.802 4.040  H3   A1BEU 108 
A1BEU H4   H4  H  0 1 N N N N N N 16.453 -6.190 38.371 -12.662 -2.602 4.681  H4   A1BEU 109 
A1BEU H5   H5  H  0 1 N N N N N N 15.655 -8.405 37.516 -14.026 -3.872 3.074  H5   A1BEU 110 
A1BEU H6   H6  H  0 1 N N N N N N 13.822 -8.432 35.821 -13.163 -4.347 0.820  H6   A1BEU 111 
A1BEU H7   H7  H  0 1 N N N N N N 12.978 -6.308 34.846 -10.929 -3.553 0.161  H7   A1BEU 112 
A1BEU H8   H8  H  0 1 N N N N N N 13.473 -0.237 29.229 -4.041  1.947  -3.901 H8   A1BEU 113 
A1BEU H10  H10 H  0 1 N N N N N N 8.639  -0.604 29.974 -4.411  4.648  0.037  H10  A1BEU 114 
A1BEU H12  H12 H  0 1 N N N N N N 9.103  5.542  33.022 0.140   0.414  3.199  H12  A1BEU 115 
A1BEU H13  H13 H  0 1 N N N N N N 10.425 3.571  34.948 -2.543  -0.804 2.562  H13  A1BEU 116 
A1BEU H14  H14 H  0 1 N N N N N N 10.791 6.698  32.950 1.032   -0.056 1.927  H14  A1BEU 117 
A1BEU H15  H15 H  0 1 N N N N N N 12.462 6.377  32.375 1.147   -0.908 0.368  H15  A1BEU 118 
A1BEU H16  H16 H  0 1 N N N N N N 11.089 5.418  31.725 0.273   0.640  0.475  H16  A1BEU 119 
A1BEU H17  H17 H  0 1 N N N N N N 12.562 7.251  36.216 1.616   -2.012 1.831  H17  A1BEU 120 
A1BEU H18  H18 H  0 1 N N N N N N 12.292 7.539  34.464 0.886   -1.939 3.452  H18  A1BEU 121 
A1BEU H19  H19 H  0 1 N N N N N N 10.942 6.961  35.498 1.185   -3.515 2.681  H19  A1BEU 122 
A1BEU H20  H20 H  0 1 N N N N N N 11.024 4.934  36.559 -1.594  -2.130 3.694  H20  A1BEU 123 
A1BEU H21  H21 H  0 1 N N N N N N 12.038 3.566  35.989 -2.525  -2.899 2.386  H21  A1BEU 124 
A1BEU H22  H22 H  0 1 N N N N N N 15.504 5.751  33.434 1.357   -2.626 -0.157 H22  A1BEU 125 
A1BEU H23  H23 H  0 1 N N N N N N 14.066 6.827  33.446 1.451   -4.089 0.854  H23  A1BEU 126 
A1BEU H24  H24 H  0 1 N N N N N N 14.681 7.626  35.713 0.180   -5.318 -0.970 H24  A1BEU 127 
A1BEU H25  H25 H  0 1 N N N N N N 16.117 6.547  35.704 0.367   -3.869 -1.987 H25  A1BEU 128 
A1BEU H26  H26 H  0 1 N N N N N N 15.865 3.925  35.352 -1.035  -4.746 -1.576 H26  A1BEU 129 
A1BEU H27  H27 H  0 1 N N N N N N 16.232 2.172  35.222 -2.329  -4.405 -2.749 H27  A1BEU 130 
A1BEU H28  H28 H  0 1 N N N N N N 16.959 3.331  34.058 -0.655  -3.914 -3.103 H28  A1BEU 131 
A1BEU H29  H29 H  0 1 N N N N N N 17.475 1.379  33.689 -1.042  -3.296 -4.329 H29  A1BEU 132 
A1BEU H30  H30 H  0 1 N N N N N N 17.975 0.506  32.201 -1.572  -2.255 -5.671 H30  A1BEU 133 
A1BEU H31  H31 H  0 1 N N N N N N 17.537 2.246  32.117 -0.539  -1.589 -4.384 H31  A1BEU 134 
A1BEU H32  H32 H  0 1 N N N N N N 15.533 -0.105 34.255 -4.462  -2.767 -3.211 H32  A1BEU 135 
A1BEU H33  H33 H  0 1 N N N N N N 14.498 -0.702 32.914 -3.212  -3.950 -3.668 H33  A1BEU 136 
A1BEU H34  H34 H  0 1 N N N N N N 17.231 1.549  29.639 -2.244  -0.586 -6.233 H34  A1BEU 137 
A1BEU H35  H35 H  0 1 N N N N N N 16.142 2.807  30.316 -1.230  0.151  -4.970 H35  A1BEU 138 
A1BEU H36  H36 H  0 1 N N N N N N 14.430 2.287  28.695 -3.820  1.352  -6.045 H36  A1BEU 139 
A1BEU H37  H37 H  0 1 N N N N N N 15.355 0.866  28.103 -2.716  2.101  -4.867 H37  A1BEU 140 
A1BEU H38  H38 H  0 1 N N N N N N 10.466 -1.759 31.374 -5.776  4.911  -2.008 H38  A1BEU 141 
A1BEU H39  H39 H  0 1 N N N N N N 10.122 -2.674 29.867 -5.717  3.506  -3.098 H39  A1BEU 142 
A1BEU H40  H40 H  0 1 N N N N N N 11.821 -2.372 30.366 -5.973  3.268  -1.353 H40  A1BEU 143 
A1BEU H41  H41 H  0 1 N N N N N N 12.255 -1.476 28.167 -2.139  4.366  -2.886 H41  A1BEU 144 
A1BEU H42  H42 H  0 1 N N N N N N 10.547 -1.625 27.629 -3.539  4.172  -3.968 H42  A1BEU 145 
A1BEU H43  H43 H  0 1 N N N N N N 11.386 -0.039 27.529 -3.425  5.597  -2.907 H43  A1BEU 146 
A1BEU H44  H44 H  0 1 N N N N N N 9.853  1.499  28.097 -1.894  5.365  0.310  H44  A1BEU 147 
A1BEU H45  H45 H  0 1 N N N N N N 8.256  1.743  28.883 -1.800  5.100  -1.447 H45  A1BEU 148 
A1BEU H46  H46 H  0 1 N N N N N N 9.050  -0.318 26.779 -3.737  6.662  -1.747 H46  A1BEU 149 
A1BEU H47  H47 H  0 1 N N N N N N 7.740  0.909  26.720 -3.716  6.980  0.004  H47  A1BEU 150 
A1BEU H48  H48 H  0 1 N N N N N N 12.445 -2.457 32.745 -7.064  -2.165 -0.969 H48  A1BEU 151 
A1BEU H49  H49 H  0 1 N N N N N N 6.590  2.199  31.815 -2.890  5.253  1.457  H49  A1BEU 152 
A1BEU H50  H50 H  0 1 N N N N N N 6.975  1.499  30.207 -2.886  4.457  3.049  H50  A1BEU 153 
A1BEU H51  H51 H  0 1 N N N N N N 7.063  0.472  31.678 -1.349  4.776  2.210  H51  A1BEU 154 
A1BEU H52  H52 H  0 1 N N N N N N 6.922  3.342  35.203 -3.429  1.096  4.176  H52  A1BEU 155 
A1BEU H53  H53 H  0 1 N N N N N N 7.129  1.861  34.208 -2.318  1.691  5.433  H53  A1BEU 156 
A1BEU H54  H54 H  0 1 N N N N N N 8.505  2.493  35.174 -3.162  2.845  4.373  H54  A1BEU 157 
A1BEU H55  H55 H  0 1 N N N N N N 6.372  4.986  33.319 -0.912  3.838  3.687  H55  A1BEU 158 
A1BEU H56  H56 H  0 1 N N N N N N 6.135  3.447  32.424 -0.128  2.684  4.793  H56  A1BEU 159 
A1BEU H57  H57 H  0 1 N N N N N N 7.789  4.329  30.697 1.083   1.691  2.835  H57  A1BEU 160 
A1BEU H58  H58 H  0 1 N N N N N N 7.698  5.913  31.538 0.362   2.941  1.792  H58  A1BEU 161 
A1BEU H59  H59 H  0 1 N N N N N N 13.333 -4.577 33.557 -9.292  -2.970 -0.315 H59  A1BEU 162 
A1BEU H61  H61 H  0 1 N N N N N N 7.480  5.118  35.304 -2.295  -0.373 4.873  H61  A1BEU 163 
A1BEU H62  H62 H  0 1 N N N N N N 9.156  5.247  35.937 -0.864  -1.398 4.608  H62  A1BEU 164 
A1BEU H63  H63 H  0 1 N N N N N N 13.901 -2.851 37.425 -8.793  -1.208 3.560  H63  A1BEU 165 
A1BEU H64  H64 H  0 1 N N N N N N 15.797 -0.259 30.475 -4.162  -0.656 -4.627 H64  A1BEU 166 
A1BEU H65  H65 H  0 1 N N N N N N 12.971 -0.720 36.613 -6.561  -0.412 2.913  H65  A1BEU 167 
A1BEU H66  H66 H  0 1 N N N N N N 14.745 4.311  31.350 11.246  -4.240 2.286  H66  A1BEU 168 
A1BEU H67  H67 H  0 1 N N N N N N 13.305 6.428  27.063 11.002  -1.365 -1.728 H67  A1BEU 169 
A1BEU H68  H68 H  0 1 N N N N N N 11.166 5.529  26.528 8.535   -1.405 -2.376 H68  A1BEU 170 
A1BEU H69  H69 H  0 1 N N N N N N 10.374 7.432  27.725 8.542   0.818  -1.808 H69  A1BEU 171 
A1BEU H70  H70 H  0 1 N N N N N N 8.584  6.888  26.273 6.217   1.135  -1.945 H70  A1BEU 172 
A1BEU H71  H71 H  0 1 N N N N N N 7.761  4.667  28.149 5.814   -1.031 0.194  H71  A1BEU 173 
A1BEU H72  H72 H  0 1 N N N N N N 7.874  4.880  25.149 3.829   0.152  -0.851 H72  A1BEU 174 
A1BEU H73  H73 H  0 1 N N N N N N 6.427  4.830  26.212 4.379   -0.427 -2.442 H73  A1BEU 175 
A1BEU H74  H74 H  0 1 N N N N N N 13.520 6.146  38.848 -2.817  -4.334 4.649  H74  A1BEU 176 
A1BEU H75  H75 H  0 1 N N N N N N 12.667 6.776  37.478 -1.795  -5.666 4.706  H75  A1BEU 177 
A1BEU H76  H76 H  0 1 N N N N N N 16.325 10.251 34.057 1.607   -5.950 -3.166 H76  A1BEU 178 
A1BEU H77  H77 H  0 1 N N N N N N 15.245 9.755  35.317 3.263   -5.963 -2.880 H77  A1BEU 179 
A1BEU H78  H78 H  0 1 N N N N N N 17.587 -2.860 33.815 -5.620  -4.403 -4.925 H78  A1BEU 180 
A1BEU H79  H79 H  0 1 N N N N N N 17.229 -1.464 34.776 -5.586  -3.864 -6.516 H79  A1BEU 181 
A1BEU H80  H80 H  0 1 N N N N N N 17.877 3.630  27.051 -2.986  3.732  -6.995 H80  A1BEU 182 
A1BEU H81  H81 H  0 1 N N N N N N 17.933 2.566  28.416 -1.719  3.584  -8.088 H81  A1BEU 183 
A1BEU H82  H82 H  0 1 N N N N N N 5.346  -0.923 28.003 -3.290  9.305  -1.223 H82  A1BEU 184 
A1BEU H83  H83 H  0 1 N N N N N N 5.978  0.676  28.214 -1.661  9.715  -1.244 H83  A1BEU 185 
A1BEU H84  H84 H  0 1 N N N N N N 5.893  7.233  31.147 2.960   3.305  1.605  H84  A1BEU 186 
A1BEU H85  H85 H  0 1 N N N N N N 8.298  8.686  36.031 -1.567  -0.640 7.286  H85  A1BEU 187 
A1BEU H86  H86 H  0 1 N N N N N N 8.296  7.205  36.929 -0.418  0.445  7.854  H86  A1BEU 188 
A1BEU H87  H87 H  0 1 N N N N N N 7.586  10.005 26.780 7.688   3.925  -0.407 H87  A1BEU 189 
A1BEU H88  H88 H  0 1 N N N N N N 10.451 6.495  29.873 9.526   0.097  0.270  H88  A1BEU 190 
A1BEU H89  H89 H  0 1 N N N N N N 6.889  2.794  25.228 2.825   -1.946 -1.532 H89  A1BEU 191 
A1BEU H98  H98 H  0 1 N N N N N N 15.870 8.067  28.101 13.748  -2.811 -1.871 H98  A1BEU 192 
A1BEU H96  H96 H  0 1 N N N N N N 16.950 6.640  27.954 13.401  -1.091 -1.571 H96  A1BEU 193 
A1BEU H97  H97 H  0 1 N N N N N N 15.740 6.986  26.673 14.352  -2.026 -0.392 H97  A1BEU 194 
A1BEU H95  H95 H  0 1 N N N N N N 16.738 6.658  30.836 13.897  -4.697 0.762  H95  A1BEU 195 
A1BEU H93  H93 H  0 1 N N N N N N 17.034 4.888  30.749 14.430  -3.013 0.985  H93  A1BEU 196 
A1BEU H94  H94 H  0 1 N N N N N N 17.386 5.929  29.328 13.623  -3.875 2.317  H94  A1BEU 197 
A1BEU H90  H90 H  0 1 N N N N N N 2.515  6.837  27.728 6.480   5.622  2.914  H90  A1BEU 198 
A1BEU H92  H92 H  0 1 N N N N N N 2.756  8.521  28.305 6.721   6.007  1.193  H92  A1BEU 199 
A1BEU H91  H91 H  0 1 N N N N N N 3.441  8.006  26.726 5.535   6.923  2.152  H91  A1BEU 200 
A1BEU H60  H60 H  0 1 N N N N N N 4.927  6.399  27.934 4.410   5.257  0.701  H60  A1BEU 201 
A1BEU H11  H11 H  0 1 N N N N N N 3.767  7.809  30.398 3.394   5.817  2.878  H11  A1BEU 202 
A1BEU H9   H9  H  0 1 N N N N N N 3.486  6.094  29.944 4.371   4.558  3.672  H9   A1BEU 203 
# 
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 
A1BEU OR8  CR5  SING N N 1   
A1BEU CR5  CR4  SING N N 2   
A1BEU OP4  P1   DOUB N N 3   
A1BEU O44  C43  DOUB N N 4   
A1BEU CR4  OR6  SING N N 5   
A1BEU CR4  CR3  SING N N 6   
A1BEU OR6  CR1  SING N N 7   
A1BEU CR3  CR2  SING N N 8   
A1BEU CR3  OP2  SING N N 9   
A1BEU C49  C50  SING N N 10  
A1BEU C49  C48  SING N N 11  
A1BEU CR1  CR2  SING N N 12  
A1BEU CR1  NB1  SING N N 13  
A1BEU P1   OP5  SING N N 14  
A1BEU P1   OP2  SING N N 15  
A1BEU P1   OP3  SING N N 16  
A1BEU C43  N45  SING N N 17  
A1BEU C43  C42  SING N N 18  
A1BEU CPR3 CPR2 SING N N 19  
A1BEU CB11 CB6  SING N N 20  
A1BEU O51  C50  DOUB N N 21  
A1BEU C50  N52  SING N N 22  
A1BEU CB7  CB6  DOUB Y N 23  
A1BEU CB7  CB8  SING Y N 24  
A1BEU CR2  OR7  SING N N 25  
A1BEU C47  C12  SING N N 26  
A1BEU CPR2 OP3  SING N N 27  
A1BEU CPR2 CPR1 SING N N 28  
A1BEU CB6  CB5  SING Y N 29  
A1BEU C48  C13  SING N N 30  
A1BEU C42  C41  SING N N 31  
A1BEU NB1  CB8  SING Y N 32  
A1BEU NB1  CB2  SING Y N 33  
A1BEU CB8  CB9  DOUB Y N 34  
A1BEU C12  C13  SING N N 35  
A1BEU C12  C11  SING N N 36  
A1BEU C12  C46  SING N N 37  
A1BEU CB2  NB3  DOUB Y N 38  
A1BEU CB5  CB10 SING N N 39  
A1BEU CB5  CB4  DOUB Y N 40  
A1BEU C13  C14  SING N N 41  
A1BEU C41  C8   SING N N 42  
A1BEU O58  C57  DOUB N N 43  
A1BEU CPR1 N59  SING N N 44  
A1BEU CB9  CB4  SING Y N 45  
A1BEU CB9  NB3  SING Y N 46  
A1BEU C10  C11  SING N N 47  
A1BEU C10  C9   DOUB N N 48  
A1BEU C11  N23  DOUB N N 49  
A1BEU C57  N59  SING N N 50  
A1BEU C57  C56  SING N N 51  
A1BEU C8   C9   SING N N 52  
A1BEU C8   C7   SING N N 53  
A1BEU C9   N22  SING N N 54  
A1BEU C14  N23  SING N N 55  
A1BEU C14  C15  DOUB N N 56  
A1BEU N23  CO1  SING N N 57  
A1BEU C53  C15  SING N N 58  
A1BEU C56  C55  SING N N 59  
A1BEU C15  C16  SING N N 60  
A1BEU O39  C38  DOUB N N 61  
A1BEU N22  CO1  SING N N 62  
A1BEU N22  C6   DOUB N N 63  
A1BEU CO1  N24  SING N N 64  
A1BEU CO1  N21  SING N N 65  
A1BEU CO1  C1L  SING N N 66  
A1BEU C7   C36  SING N N 67  
A1BEU C7   C6   SING N N 68  
A1BEU C7   C37  SING N N 69  
A1BEU C16  N24  DOUB N N 70  
A1BEU C16  C17  SING N N 71  
A1BEU C20  C1   SING N N 72  
A1BEU C55  C17  SING N N 73  
A1BEU C6   C5   SING N N 74  
A1BEU N24  C19  SING N N 75  
A1BEU C38  C37  SING N N 76  
A1BEU C38  N40  SING N N 77  
A1BEU N21  C1   SING N N 78  
A1BEU N21  C4   SING N N 79  
A1BEU C17  C18  SING N N 80  
A1BEU C17  C54  SING N N 81  
A1BEU C1L  C2L  TRIP N N 82  
A1BEU O33  C32  DOUB N N 83  
A1BEU C5   C4   DOUB N N 84  
A1BEU C5   C35  SING N N 85  
A1BEU C1   C19  SING N N 86  
A1BEU C1   C2   SING N N 87  
A1BEU C4L  C5L  DOUB Y N 88  
A1BEU C4L  C3L  SING Y N 89  
A1BEU C18  C19  SING N N 90  
A1BEU C18  C60  SING N N 91  
A1BEU O62  C61  DOUB N N 92  
A1BEU C4   C3   SING N N 93  
A1BEU C2L  C3L  SING N N 94  
A1BEU C30  C3   SING N N 95  
A1BEU C30  C31  SING N N 96  
A1BEU C5L  C6L  SING Y N 97  
A1BEU C32  N34  SING N N 98  
A1BEU C32  C31  SING N N 99  
A1BEU C3L  C8L  DOUB Y N 100 
A1BEU C3   C2   SING N N 101 
A1BEU C61  C60  SING N N 102 
A1BEU C61  N63  SING N N 103 
A1BEU C2   C25  SING N N 104 
A1BEU C2   C26  SING N N 105 
A1BEU C6L  C01  SING N N 106 
A1BEU C6L  C7L  DOUB Y N 107 
A1BEU C06  C01  DOUB Y N 108 
A1BEU C06  C05  SING Y N 109 
A1BEU C8L  C7L  SING Y N 110 
A1BEU C01  C02  SING Y N 111 
A1BEU C05  C04  DOUB Y N 112 
A1BEU C26  C27  SING N N 113 
A1BEU C02  C03  DOUB Y N 114 
A1BEU C04  C03  SING Y N 115 
A1BEU C27  N29  SING N N 116 
A1BEU C27  O28  DOUB N N 117 
A1BEU C3   H1   SING N N 118 
A1BEU CB2  H2   SING N N 119 
A1BEU C02  H3   SING N N 120 
A1BEU C03  H4   SING N N 121 
A1BEU C04  H5   SING N N 122 
A1BEU C05  H6   SING N N 123 
A1BEU C06  H7   SING N N 124 
A1BEU C10  H8   SING N N 125 
A1BEU C13  H10  SING N N 126 
A1BEU C18  H12  SING N N 127 
A1BEU C19  H13  SING N N 128 
A1BEU C20  H14  SING N N 129 
A1BEU C20  H15  SING N N 130 
A1BEU C20  H16  SING N N 131 
A1BEU C25  H17  SING N N 132 
A1BEU C25  H18  SING N N 133 
A1BEU C25  H19  SING N N 134 
A1BEU C26  H20  SING N N 135 
A1BEU C26  H21  SING N N 136 
A1BEU C30  H22  SING N N 137 
A1BEU C30  H23  SING N N 138 
A1BEU C31  H24  SING N N 139 
A1BEU C31  H25  SING N N 140 
A1BEU C35  H26  SING N N 141 
A1BEU C35  H27  SING N N 142 
A1BEU C35  H28  SING N N 143 
A1BEU C36  H29  SING N N 144 
A1BEU C36  H30  SING N N 145 
A1BEU C36  H31  SING N N 146 
A1BEU C37  H32  SING N N 147 
A1BEU C37  H33  SING N N 148 
A1BEU C41  H34  SING N N 149 
A1BEU C41  H35  SING N N 150 
A1BEU C42  H36  SING N N 151 
A1BEU C42  H37  SING N N 152 
A1BEU C46  H38  SING N N 153 
A1BEU C46  H39  SING N N 154 
A1BEU C46  H40  SING N N 155 
A1BEU C47  H41  SING N N 156 
A1BEU C47  H42  SING N N 157 
A1BEU C47  H43  SING N N 158 
A1BEU C48  H44  SING N N 159 
A1BEU C48  H45  SING N N 160 
A1BEU C49  H46  SING N N 161 
A1BEU C49  H47  SING N N 162 
A1BEU C4L  H48  SING N N 163 
A1BEU C53  H49  SING N N 164 
A1BEU C53  H50  SING N N 165 
A1BEU C53  H51  SING N N 166 
A1BEU C54  H52  SING N N 167 
A1BEU C54  H53  SING N N 168 
A1BEU C54  H54  SING N N 169 
A1BEU C55  H55  SING N N 170 
A1BEU C55  H56  SING N N 171 
A1BEU C56  H57  SING N N 172 
A1BEU C56  H58  SING N N 173 
A1BEU C5L  H59  SING N N 174 
A1BEU C60  H61  SING N N 175 
A1BEU C60  H62  SING N N 176 
A1BEU C7L  H63  SING N N 177 
A1BEU C8   H64  SING N N 178 
A1BEU C8L  H65  SING N N 179 
A1BEU CB4  H66  SING N N 180 
A1BEU CB7  H67  SING N N 181 
A1BEU CR1  H68  SING N N 182 
A1BEU CR2  H69  SING N N 183 
A1BEU CR3  H70  SING N N 184 
A1BEU CR4  H71  SING N N 185 
A1BEU CR5  H72  SING N N 186 
A1BEU CR5  H73  SING N N 187 
A1BEU N29  H74  SING N N 188 
A1BEU N29  H75  SING N N 189 
A1BEU N34  H76  SING N N 190 
A1BEU N34  H77  SING N N 191 
A1BEU N40  H78  SING N N 192 
A1BEU N40  H79  SING N N 193 
A1BEU N45  H80  SING N N 194 
A1BEU N45  H81  SING N N 195 
A1BEU N52  H82  SING N N 196 
A1BEU N52  H83  SING N N 197 
A1BEU N59  H84  SING N N 198 
A1BEU N63  H85  SING N N 199 
A1BEU N63  H86  SING N N 200 
A1BEU OP5  H87  SING N N 201 
A1BEU OR7  H88  SING N N 202 
A1BEU OR8  H89  SING N N 203 
A1BEU CB11 H98  SING N N 204 
A1BEU CB11 H96  SING N N 205 
A1BEU CB11 H97  SING N N 206 
A1BEU CB10 H95  SING N N 207 
A1BEU CB10 H93  SING N N 208 
A1BEU CB10 H94  SING N N 209 
A1BEU CPR3 H90  SING N N 210 
A1BEU CPR3 H92  SING N N 211 
A1BEU CPR3 H91  SING N N 212 
A1BEU CPR2 H60  SING N N 213 
A1BEU CPR1 H11  SING N N 214 
A1BEU CPR1 H9   SING N N 215 
# 
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 
A1BEU InChI            InChI                1.06    "InChI=1S/C62H90N13O14P.C14H9.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;1-2-12-8-10-14(11-9-12)13-6-4-3-5-7-13;/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);3-11H;/q;;+4/p-1/t31-,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;;/m1../s1" 
A1BEU InChIKey         InChI                1.06    CVSFFALMEITIQD-WZHZPDAFSA-M                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                       
A1BEU 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#Cc7ccc(cc7)c8ccccc8)[N@@]9C(=C(C)C%10=[N@+]6C(=C5)[C@@H](CCC(N)=O)[C@]%10(C)CC(N)=O)[C@@H](CCC(N)=O)[C@](C)(CC(N)=O)[C@]29C)C)O[P](O)(=O)O[C@H]%11[C@@H](O)[C@H](O[C@@H]%11CO)n%12cnc%13cc(C)c(C)cc%12%13"                                                                                                                                                                                                                                                                                  
A1BEU 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#Cc7ccc(cc7)c8ccccc8)[N]9C(=C(C)C%10=[N+]6C(=C5)[CH](CCC(N)=O)[C]%10(C)CC(N)=O)[CH](CCC(N)=O)[C](C)(CC(N)=O)[C]29C)C)O[P](O)(=O)O[CH]%11[CH](O)[CH](O[CH]%11CO)n%12cnc%13cc(C)c(C)cc%12%13"                                                                                                                                                                                                                                                                                                            
A1BEU 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#Cc1ccc(cc1)c1ccccc1)[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"                                                                                                                                                                                                                                                                                                             
A1BEU 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#Cc1ccc(cc1)c1ccccc1)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           A1BEU 
_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-[2-(4-phenylphenyl)ethynyl]-22-aza-2,23,24-triazonia-1$l^{5}-cobaltaoctacyclo[11.9.1.1^{1,8}.0^{2,6}.0^{3,21}.0^{16,23}.0^{18,22}.0^{11,24}]tetracosa-2(6),7,11(24),12,16(23),17-hexaen-5-yl]propanoylamino]propan-2-yl hydrogen phosphate" 
# 
loop_
_pdbx_chem_comp_audit.comp_id 
_pdbx_chem_comp_audit.action_type 
_pdbx_chem_comp_audit.date 
_pdbx_chem_comp_audit.processing_site 
A1BEU "Create component"   2024-11-01 RCSB 
A1BEU "Other modification" 2024-11-01 RCSB 
A1BEU "Modify charge"      2024-12-09 RCSB 
A1BEU "Initial release"    2025-09-24 RCSB 
# 
_pdbx_chem_comp_synonyms.ordinal      1 
_pdbx_chem_comp_synonyms.comp_id      A1BEU 
_pdbx_chem_comp_synonyms.name         "[(2~{R},3~{S},4~{R},5~{S})-5-[5,6-di(methyl)benzimidazol-1-yl]-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] 1-[3-[(3~{R},4~{R},5~{R},9~{S},14~{S},15~{S},19~{S},20~{S},21~{R})-4,15,20-tris(2-azanyl-2-oxidanylidene-ethyl)-9,14,19-tris(3-azanyl-3-oxidanylidene-propyl)-5,7,10,10,15,17,20,21-octamethyl-1-[2-(4-phenylphenyl)ethynyl]-2$l^{4},22,23$l^{4},24$l^{4}-tetraza-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         ? 
# 
