data_A1AWW
# 
_chem_comp.id                                    A1AWW 
_chem_comp.name                                  "L-gamma-glutamyl-S-[(8R,9S)-1-carboxy-9-nitroheptadecan-8-yl]-L-cysteinylglycine" 
_chem_comp.type                                  non-polymer 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C28 H50 N4 O10 S" 
_chem_comp.mon_nstd_parent_comp_id               GSH 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2024-07-08 
_chem_comp.pdbx_modified_date                    2025-03-07 
_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                        634.782 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     A1AWW 
_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        8VOU 
_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 
A1AWW CD1  C1  C 0  1 N N N N N N -7.427  7.840  74.972 3.042   2.883  -0.057 CD1  A1AWW 1  
A1AWW CA2  C2  C 0  1 N N R N N N -9.242  7.684  73.302 0.607   2.894  0.033  CA2  A1AWW 2  
A1AWW N3   N1  N 0  1 N N N N N N -10.265 5.677  74.278 -0.906  4.809  0.438  N3   A1AWW 3  
A1AWW CA3  C3  C 0  1 N N N N N N -11.354 4.778  74.594 -1.247  6.066  1.108  CA3  A1AWW 4  
A1AWW C20  C4  C 0  1 N N R N N N -7.708  10.309 71.526 -1.309  -0.857 0.123  C20  A1AWW 5  
A1AWW C21  C5  C 0  1 N N N N N N -9.135  10.798 71.324 -0.987  -2.276 -0.351 C21  A1AWW 6  
A1AWW C22  C6  C 0  1 N N N N N N -9.765  11.396 72.570 0.299   -2.759 0.323  C22  A1AWW 7  
A1AWW C24  C7  C 0  1 N N N N N N -11.392 13.133 73.415 1.969   -4.614 0.439  C24  A1AWW 8  
A1AWW C26  C8  C 0  1 N N N N N N -13.438 14.565 73.964 3.638   -6.469 0.555  C26  A1AWW 9  
A1AWW C28  C9  C 0  1 N N N N N N -15.380 16.179 74.433 5.289   -8.316 0.661  C28  A1AWW 10 
A1AWW N1   N2  N 0  1 N N N N N N -3.293  8.515  77.620 7.057   3.024  1.513  N1   A1AWW 11 
A1AWW CA1  C10 C 0  1 N N S N N N -4.023  7.504  76.810 6.854   2.580  0.127  CA1  A1AWW 12 
A1AWW C1   C11 C 0  1 N N N N N N -3.056  6.877  75.805 7.944   3.146  -0.746 C1   A1AWW 13 
A1AWW O11  O1  O 0  1 N N N N N N -2.027  7.525  75.516 8.575   4.108  -0.377 O11  A1AWW 14 
A1AWW CB1  C12 C 0  1 N N N N N N -5.200  8.154  76.087 5.494   3.071  -0.372 CB1  A1AWW 15 
A1AWW OE1  O2  O 0  1 N N N N N N -7.830  8.904  75.441 2.982   3.682  -0.967 OE1  A1AWW 16 
A1AWW N2   N3  N 0  1 N N N N N N -8.015  7.226  73.939 1.909   2.423  0.511  N2   A1AWW 17 
A1AWW C2   C13 C 0  1 N N N N N N -10.453 6.771  73.535 0.256   4.187  0.722  C2   A1AWW 18 
A1AWW C3   C14 C 0  1 N N N N N N -12.195 5.276  75.756 -2.586  6.550  0.616  C3   A1AWW 19 
A1AWW O32  O3  O 0  1 N N N N N N -13.090 6.119  75.495 -3.105  7.692  1.095  O32  A1AWW 20 
A1AWW O31  O4  O 0  1 N N N N N N -11.931 4.844  76.896 -3.194  5.910  -0.209 O31  A1AWW 21 
A1AWW O2   O5  O 0  1 N N N N N N -11.534 7.046  73.022 1.019   4.668  1.533  O2   A1AWW 22 
A1AWW CB2  C15 C 0  1 N N N N N N -9.092  7.794  71.780 -0.461  1.843  0.345  CB2  A1AWW 23 
A1AWW SG2  S1  S 0  1 N N N N N N -7.547  8.525  71.174 -0.039  0.286  -0.484 SG2  A1AWW 24 
A1AWW C23  C16 C 0  1 N N N N N N -10.496 12.680 72.287 0.683   -4.131 -0.235 C23  A1AWW 25 
A1AWW C25  C17 C 0  1 N N N N N N -12.263 14.317 73.036 2.352   -5.986 -0.119 C25  A1AWW 26 
A1AWW C27  C18 C 0  1 N N N N N N -14.385 15.631 73.423 4.022   -7.840 -0.003 C27  A1AWW 27 
A1AWW O29  O6  O 0  1 N N N N N N -15.343 17.420 74.662 5.817   -9.504 0.326  O29  A1AWW 28 
A1AWW O30  O7  O 0  1 N N N N N N -16.175 15.377 74.982 5.829   -7.629 1.495  O30  A1AWW 29 
A1AWW C31  C19 C 0  1 N N S N N N -6.627  11.185 70.858 -2.676  -0.436 -0.421 C31  A1AWW 30 
A1AWW C32  C20 C 0  1 N N N N N N -6.790  12.686 71.082 -3.763  -1.323 0.189  C32  A1AWW 31 
A1AWW C33  C21 C 0  1 N N N N N N -5.562  13.414 71.601 -5.139  -0.824 -0.257 C33  A1AWW 32 
A1AWW C34  C22 C 0  1 N N N N N N -5.850  14.847 72.027 -6.226  -1.711 0.353  C34  A1AWW 33 
A1AWW C35  C23 C 0  1 N N N N N N -6.476  14.982 73.414 -7.602  -1.212 -0.093 C35  A1AWW 34 
A1AWW C36  C24 C 0  1 N N N N N N -7.998  15.076 73.425 -8.689  -2.099 0.517  C36  A1AWW 35 
A1AWW C37  C25 C 0  1 N N N N N N -8.536  16.481 73.222 -10.064 -1.599 0.072  C37  A1AWW 36 
A1AWW C38  C26 C 0  1 N N N N N N -8.915  17.227 74.508 -11.151 -2.487 0.682  C38  A1AWW 37 
A1AWW C39  C27 C 0  1 N N N N N N -10.348 16.965 74.973 -12.527 -1.987 0.236  C39  A1AWW 38 
A1AWW N40  N4  N 1  1 N N N N N N -6.580  10.926 69.365 -2.688  -0.582 -1.879 N40  A1AWW 39 
A1AWW O41  O8  O -1 1 N N N N N N -7.621  10.955 68.734 -2.494  -1.673 -2.383 O41  A1AWW 40 
A1AWW O42  O9  O 0  1 N N N N N N -5.489  10.749 68.856 -2.891  0.389  -2.586 O42  A1AWW 41 
A1AWW CG1  C28 C 0  1 N N N N N N -6.199  7.157  75.518 4.381   2.399  0.435  CG1  A1AWW 42 
A1AWW O12  O10 O 0  1 N N N N N N -3.352  5.735  75.374 8.214   2.581  -1.934 O12  A1AWW 43 
A1AWW HA2  H1  H 0  1 N N N N N N -9.493  8.682  73.690 0.652   3.056  -1.044 HA2  A1AWW 44 
A1AWW HN3  H2  H 0  1 N N N N N N -9.349  5.474  74.624 -1.516  4.424  -0.211 HN3  A1AWW 45 
A1AWW HA32 H3  H 0  0 N N N N N N -11.999 4.678  73.708 -1.292  5.903  2.185  HA32 A1AWW 46 
A1AWW HA31 H4  H 0  0 N N N N N N -10.936 3.795  74.856 -0.486  6.814  0.885  HA31 A1AWW 47 
A1AWW H20  H5  H 0  1 N N N N N N -7.517  10.371 72.607 -1.329  -0.834 1.212  H20  A1AWW 48 
A1AWW H21B H6  H 0  0 N N N N N N -9.129  11.566 70.537 -1.808  -2.942 -0.087 H21B A1AWW 49 
A1AWW H21A H7  H 0  0 N N N N N N -9.750  9.946  71.000 -0.852  -2.276 -1.433 H21A A1AWW 50 
A1AWW H22B H8  H 0  0 N N N N N N -10.477 10.670 72.988 1.102   -2.048 0.125  H22B A1AWW 51 
A1AWW H22A H9  H 0  0 N N N N N N -8.971  11.597 73.305 0.138   -2.836 1.398  H22A A1AWW 52 
A1AWW H24B H10 H 0  0 N N N N N N -12.044 12.295 73.704 2.771   -3.903 0.241  H24B A1AWW 53 
A1AWW H24A H11 H 0  0 N N N N N N -10.762 13.419 74.270 1.808   -4.691 1.514  H24A A1AWW 54 
A1AWW H26B H12 H 0  0 N N N N N N -13.996 13.625 74.088 4.441   -5.758 0.357  H26B A1AWW 55 
A1AWW H26A H13 H 0  0 N N N N N N -13.054 14.895 74.941 3.478   -6.546 1.630  H26A A1AWW 56 
A1AWW H3   H14 H 0  1 N N N N N N -2.525  8.077  78.088 7.919   2.658  1.887  H3   A1AWW 57 
A1AWW HN11 H15 H 0  0 N N N N N N -2.949  9.237  77.020 7.033   4.030  1.577  HN11 A1AWW 58 
A1AWW HA1  H17 H 0  1 N N N N N N -4.406  6.714  77.473 6.885   1.491  0.086  HA1  A1AWW 59 
A1AWW HB13 H18 H 0  0 N N N N N N -4.806  8.761  75.259 5.431   4.152  -0.249 HB13 A1AWW 60 
A1AWW HB12 H19 H 0  0 N N N N N N -5.728  8.805  76.799 5.381   2.819  -1.426 HB12 A1AWW 61 
A1AWW HN2  H20 H 0  1 N N N N N N -7.584  6.398  73.581 1.956   1.781  1.236  HN2  A1AWW 62 
A1AWW H32  H21 H 0  1 N N N N N N -13.530 6.373  76.298 -3.967  7.962  0.750  H32  A1AWW 63 
A1AWW HB23 H22 H 0  0 N N N N N N -9.169  6.780  71.362 -0.506  1.680  1.422  HB23 A1AWW 64 
A1AWW HB22 H23 H 0  0 N N N N N N -9.923  8.409  71.405 -1.430  2.193  -0.010 HB22 A1AWW 65 
A1AWW H23A H24 H 0  0 N N N N N N -9.752  13.468 72.097 -0.120  -4.841 -0.038 H23A A1AWW 66 
A1AWW H23B H25 H 0  0 N N N N N N -11.115 12.536 71.389 0.843   -4.054 -1.311 H23B A1AWW 67 
A1AWW H25A H26 H 0  0 N N N N N N -11.633 15.219 73.033 1.550   -6.696 0.079  H25A A1AWW 68 
A1AWW H25B H27 H 0  0 N N N N N N -12.657 14.142 72.024 2.513   -5.909 -1.194 H25B A1AWW 69 
A1AWW H27A H28 H 0  0 N N N N N N -13.778 16.470 73.052 3.220   -8.551 0.195  H27A A1AWW 70 
A1AWW H27B H29 H 0  0 N N N N N N -14.952 15.192 72.589 4.183   -7.763 -1.078 H27B A1AWW 71 
A1AWW H4   H30 H 0  1 N N N N N N -16.004 17.643 75.307 6.630   -9.766 0.779  H4   A1AWW 72 
A1AWW H31  H31 H 0  1 N N N N N N -5.656  10.889 71.280 -2.867  0.604  -0.159 H31  A1AWW 73 
A1AWW H32B H32 H 0  0 N N N N N N -7.072  13.142 70.121 -3.624  -2.351 -0.146 H32B A1AWW 74 
A1AWW H32A H33 H 0  0 N N N N N N -7.602  12.832 71.810 -3.697  -1.283 1.276  H32A A1AWW 75 
A1AWW H33A H34 H 0  0 N N N N N N -5.170  12.863 72.469 -5.278  0.204  0.078  H33A A1AWW 76 
A1AWW H33B H35 H 0  0 N N N N N N -4.803  13.432 70.805 -5.205  -0.864 -1.344 H33B A1AWW 77 
A1AWW H34A H36 H 0  0 N N N N N N -4.901  15.404 72.022 -6.086  -2.739 0.018  H34A A1AWW 78 
A1AWW H34B H37 H 0  0 N N N N N N -6.540  15.291 71.294 -6.160  -1.671 1.441  H34B A1AWW 79 
A1AWW H35B H38 H 0  0 N N N N N N -6.184  14.103 74.008 -7.741  -0.184 0.243  H35B A1AWW 80 
A1AWW H35A H39 H 0  0 N N N N N N -6.074  15.892 73.883 -7.668  -1.251 -1.180 H35A A1AWW 81 
A1AWW H36B H40 H 0  0 N N N N N N -8.389  14.437 72.619 -8.549  -3.127 0.182  H36B A1AWW 82 
A1AWW H36A H41 H 0  0 N N N N N N -8.360  14.705 74.395 -8.622  -2.059 1.605  H36A A1AWW 83 
A1AWW H37A H42 H 0  0 N N N N N N -7.765  17.069 72.702 -10.204 -0.572 0.407  H37A A1AWW 84 
A1AWW H37B H43 H 0  0 N N N N N N -9.434  16.414 72.590 -10.131 -1.639 -1.015 H37B A1AWW 85 
A1AWW H38A H44 H 0  0 N N N N N N -8.228  16.912 75.307 -11.012 -3.514 0.347  H38A A1AWW 86 
A1AWW H38B H45 H 0  0 N N N N N N -8.800  18.306 74.330 -11.085 -2.447 1.769  H38B A1AWW 87 
A1AWW H39A H46 H 0  0 N N N N N N -10.544 17.531 75.895 -12.667 -0.959 0.571  H39A A1AWW 88 
A1AWW H39C H47 H 0  0 N N N N N N -11.052 17.285 74.190 -12.593 -2.027 -0.851 H39C A1AWW 89 
A1AWW H39B H48 H 0  0 N N N N N N -10.480 15.890 75.168 -13.302 -2.619 0.671  H39B A1AWW 90 
A1AWW HG12 H50 H 0  0 N N N N N N -6.503  6.464  76.316 4.494   2.651  1.489  HG12 A1AWW 91 
A1AWW HG13 H51 H 0  0 N N N N N N -5.716  6.593  74.707 4.445   1.318  0.311  HG13 A1AWW 92 
A1AWW H12  H52 H 0  1 N N N N N N -2.670  5.431  74.787 8.922   2.979  -2.459 H12  A1AWW 93 
# 
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 
A1AWW OE1 CD1  DOUB N N 1  
A1AWW CD1 N2   SING N N 2  
A1AWW N2  CA2  SING N N 3  
A1AWW CA2 C2   SING N N 4  
A1AWW C2  N3   SING N N 5  
A1AWW N3  CA3  SING N N 6  
A1AWW CA3 C3   SING N N 7  
A1AWW C3  O32  SING N N 8  
A1AWW C3  O31  DOUB N N 9  
A1AWW C2  O2   DOUB N N 10 
A1AWW CA2 CB2  SING N N 11 
A1AWW CB2 SG2  SING N N 12 
A1AWW SG2 C20  SING N N 13 
A1AWW C20 C21  SING N N 14 
A1AWW C21 C22  SING N N 15 
A1AWW C22 C23  SING N N 16 
A1AWW C23 C24  SING N N 17 
A1AWW C24 C25  SING N N 18 
A1AWW C25 C26  SING N N 19 
A1AWW C26 C27  SING N N 20 
A1AWW C27 C28  SING N N 21 
A1AWW C28 O29  SING N N 22 
A1AWW C28 O30  DOUB N N 23 
A1AWW C20 C31  SING N N 24 
A1AWW C31 C32  SING N N 25 
A1AWW C32 C33  SING N N 26 
A1AWW C33 C34  SING N N 27 
A1AWW C34 C35  SING N N 28 
A1AWW C35 C36  SING N N 29 
A1AWW C36 C37  SING N N 30 
A1AWW C37 C38  SING N N 31 
A1AWW C38 C39  SING N N 32 
A1AWW C31 N40  SING N N 33 
A1AWW N40 O41  SING N N 34 
A1AWW N40 O42  DOUB N N 35 
A1AWW CD1 CG1  SING N N 36 
A1AWW CG1 CB1  SING N N 37 
A1AWW CB1 CA1  SING N N 38 
A1AWW CA1 N1   SING N N 39 
A1AWW CA1 C1   SING N N 40 
A1AWW C1  O12  SING N N 41 
A1AWW C1  O11  DOUB N N 42 
A1AWW CA2 HA2  SING N N 43 
A1AWW N3  HN3  SING N N 44 
A1AWW CA3 HA32 SING N N 45 
A1AWW CA3 HA31 SING N N 46 
A1AWW C20 H20  SING N N 47 
A1AWW C21 H21B SING N N 48 
A1AWW C21 H21A SING N N 49 
A1AWW C22 H22B SING N N 50 
A1AWW C22 H22A SING N N 51 
A1AWW C24 H24B SING N N 52 
A1AWW C24 H24A SING N N 53 
A1AWW C26 H26B SING N N 54 
A1AWW C26 H26A SING N N 55 
A1AWW N1  H3   SING N N 56 
A1AWW N1  HN11 SING N N 57 
A1AWW CA1 HA1  SING N N 58 
A1AWW CB1 HB13 SING N N 59 
A1AWW CB1 HB12 SING N N 60 
A1AWW N2  HN2  SING N N 61 
A1AWW O32 H32  SING N N 62 
A1AWW CB2 HB23 SING N N 63 
A1AWW CB2 HB22 SING N N 64 
A1AWW C23 H23A SING N N 65 
A1AWW C23 H23B SING N N 66 
A1AWW C25 H25A SING N N 67 
A1AWW C25 H25B SING N N 68 
A1AWW C27 H27A SING N N 69 
A1AWW C27 H27B SING N N 70 
A1AWW O29 H4   SING N N 71 
A1AWW C31 H31  SING N N 72 
A1AWW C32 H32B SING N N 73 
A1AWW C32 H32A SING N N 74 
A1AWW C33 H33A SING N N 75 
A1AWW C33 H33B SING N N 76 
A1AWW C34 H34A SING N N 77 
A1AWW C34 H34B SING N N 78 
A1AWW C35 H35B SING N N 79 
A1AWW C35 H35A SING N N 80 
A1AWW C36 H36B SING N N 81 
A1AWW C36 H36A SING N N 82 
A1AWW C37 H37A SING N N 83 
A1AWW C37 H37B SING N N 84 
A1AWW C38 H38A SING N N 85 
A1AWW C38 H38B SING N N 86 
A1AWW C39 H39A SING N N 87 
A1AWW C39 H39C SING N N 88 
A1AWW C39 H39B SING N N 89 
A1AWW CG1 HG12 SING N N 90 
A1AWW CG1 HG13 SING N N 91 
A1AWW O12 H12  SING N N 92 
# 
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 
A1AWW SMILES           ACDLabs              12.01 "O=C(NC(CSC(CCCCCCCC(=O)O)C(CCCCCCCC)[N+]([O-])=O)C(=O)NCC(=O)O)CCC(N)C(=O)O"                                                                                                                                                               
A1AWW InChI            InChI                1.06  "InChI=1S/C28H50N4O10S/c1-2-3-4-5-7-10-13-22(32(41)42)23(14-11-8-6-9-12-15-25(34)35)43-19-21(27(38)30-18-26(36)37)31-24(33)17-16-20(29)28(39)40/h20-23H,2-19,29H2,1H3,(H,30,38)(H,31,33)(H,34,35)(H,36,37)(H,39,40)/t20-,21-,22-,23+/m0/s1" 
A1AWW InChIKey         InChI                1.06  LLKWVZVREBBXRU-CWBXHPNXSA-N                                                                                                                                                                                                                 
A1AWW SMILES_CANONICAL CACTVS               3.385 "CCCCCCCC[C@@H]([C@@H](CCCCCCCC(O)=O)SC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O)[N+]([O-])=O"                                                                                                                                             
A1AWW SMILES           CACTVS               3.385 "CCCCCCCC[CH]([CH](CCCCCCCC(O)=O)SC[CH](NC(=O)CC[CH](N)C(O)=O)C(=O)NCC(O)=O)[N+]([O-])=O"                                                                                                                                                   
A1AWW SMILES_CANONICAL "OpenEye OEToolkits" 2.0.7 "CCCCCCCC[C@@H]([C@@H](CCCCCCCC(=O)O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)[N+](=O)[O-]"                                                                                                                                           
A1AWW SMILES           "OpenEye OEToolkits" 2.0.7 "CCCCCCCCC(C(CCCCCCCC(=O)O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)[N+](=O)[O-]"                                                                                                                                                               
# 
loop_
_pdbx_chem_comp_identifier.comp_id 
_pdbx_chem_comp_identifier.type 
_pdbx_chem_comp_identifier.program 
_pdbx_chem_comp_identifier.program_version 
_pdbx_chem_comp_identifier.identifier 
A1AWW "SYSTEMATIC NAME" ACDLabs              12.01 "L-gamma-glutamyl-S-[(8R,9S)-1-carboxy-9-nitroheptadecan-8-yl]-L-cysteinylglycine"                                                                                                    
A1AWW "SYSTEMATIC NAME" "OpenEye OEToolkits" 2.0.7 "(9~{R},10~{S})-9-[(2~{R})-2-[[(4~{S})-4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-3-(2-hydroxy-2-oxoethylamino)-3-oxidanylidene-propyl]sulfanyl-10-nitro-octadecanoic acid" 
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loop_
_pdbx_chem_comp_audit.comp_id 
_pdbx_chem_comp_audit.action_type 
_pdbx_chem_comp_audit.date 
_pdbx_chem_comp_audit.processing_site 
A1AWW "Create component" 2024-07-08 RCSB 
A1AWW "Initial release"  2025-03-12 RCSB 
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