data_A1A7R
# 
_chem_comp.id                                    A1A7R 
_chem_comp.name                                  "3-[(2S)-2-{[(2R,3S,3aR,5aS,6R,11bR,11cS)-10-hydroxy-3a-methoxy-3,14-dimethyl-2-phenyl-2,3,3a,4,5,6,7,11c-octahydro-1H-6,11b-(epiminoethano)-3,5a-methanonaphtho[2,1-g]indol-1-yl]oxy}-2,3-dihydro-1H-imidazol-4-yl]-L-alanine" 
_chem_comp.type                                  "L-peptide linking" 
_chem_comp.pdbx_type                             ATOMP 
_chem_comp.formula                               "C34 H43 N5 O5" 
_chem_comp.mon_nstd_parent_comp_id               HIS 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2024-09-17 
_chem_comp.pdbx_modified_date                    2024-10-23 
_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                        601.736 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     A1A7R 
_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        8E0G 
_chem_comp.pdbx_subcomponent_list                ? 
_chem_comp.pdbx_processing_site                  RCSB 
_chem_comp.pdbx_pcm                              Y 
# 
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 
A1A7R C8  C1  C 0 1 N N N N N N 0.698  19.427 -61.040 1.170  2.525  3.095  C8  A1A7R 1  
A1A7R C12 C2  C 0 1 Y N N N N N 4.872  20.986 -60.704 1.620  3.372  -2.564 C12 A1A7R 2  
A1A7R C3  C3  C 0 1 N N N N N N -0.772 16.738 -60.576 1.781  -0.665 3.022  C3  A1A7R 3  
A1A7R C7  C4  C 0 1 N N S N N N 1.239  18.158 -60.345 1.298  1.573  1.904  C7  A1A7R 4  
A1A7R C9  C5  C 0 1 N N R N N N 2.706  17.902 -60.785 0.384  1.974  0.718  C9  A1A7R 5  
A1A7R C2  C6  C 0 1 N N R N N N 0.671  16.837 -60.980 0.799  0.144  2.211  C2  A1A7R 6  
A1A7R C10 C7  C 0 1 Y N N N N N 3.782  18.863 -60.319 1.171  2.771  -0.290 C10 A1A7R 7  
A1A7R C11 C8  C 0 1 Y N N N N N 4.105  19.911 -61.159 0.902  2.636  -1.640 C11 A1A7R 8  
A1A7R C6  C9  C 0 1 N N N N N N 0.913  18.113 -58.850 2.737  1.490  1.371  C6  A1A7R 9  
A1A7R C15 C10 C 0 1 Y N N N N N 4.327  18.841 -59.044 2.151  3.649  0.135  C15 A1A7R 10 
A1A7R C1  C11 C 0 1 N N N N N N 0.617  15.479 -63.035 -1.048 -1.074 3.133  C1  A1A7R 11 
A1A7R N5  N1  N 0 1 N N N N N N 1.134  16.818 -56.160 4.364  0.606  -1.004 N5  A1A7R 12 
A1A7R O1  O1  O 0 1 N N N N N N 0.816  16.776 -62.382 -0.456 0.204  2.891  O1  A1A7R 13 
A1A7R C4  C12 C 0 1 N N N N N N -1.012 16.750 -59.282 3.126  -0.784 2.307  C4  A1A7R 14 
A1A7R C5  C13 C 0 1 N N S N N N 0.195  16.837 -58.421 3.059  0.041  1.017  C5  A1A7R 15 
A1A7R C13 C14 C 0 1 Y N N N N N 5.345  20.991 -59.414 2.607  4.241  -2.139 C13 A1A7R 16 
A1A7R C14 C15 C 0 1 Y N N N N N 5.091  19.905 -58.584 2.872  4.380  -0.790 C14 A1A7R 17 
A1A7R N1  N2  N 0 1 N N N N N N 2.821  16.556 -60.232 -0.085 0.720  0.091  N1  A1A7R 18 
A1A7R O2  O2  O 0 1 N N N N N N 4.045  15.853 -60.621 -1.539 0.596  0.194  O2  A1A7R 19 
A1A7R CE1 C16 C 0 1 N N S N N N 4.533  15.428 -61.930 -2.206 0.515  -1.067 CE1 A1A7R 20 
A1A7R NE2 N3  N 0 1 N N N N N N 3.860  14.256 -62.466 -2.393 -0.891 -1.460 NE2 A1A7R 21 
A1A7R CD2 C17 C 0 1 N N N N N N 4.032  14.177 -63.778 -3.774 -1.099 -1.560 CD2 A1A7R 22 
A1A7R CG  C18 C 0 1 N N N N N N 4.428  15.391 -64.194 -4.442 -0.001 -1.278 CG  A1A7R 23 
A1A7R CB  C19 C 0 1 N N N N N N 4.746  15.866 -65.572 -5.944 0.111  -1.294 CB  A1A7R 24 
A1A7R CA  C20 C 0 1 N N S N Y N 3.505  16.315 -66.351 -6.487 -0.113 0.119  CA  A1A7R 25 
A1A7R N   N4  N 0 1 N N N Y Y N 3.710  16.139 -67.785 -6.204 -1.491 0.540  N   A1A7R 26 
A1A7R C   C21 C 0 1 N N N N Y Y 3.001  17.739 -66.060 -7.976 0.119  0.128  C   A1A7R 27 
A1A7R O   O3  O 0 1 N N N N Y Y 1.793  17.966 -66.085 -8.734 -0.820 0.092  O   A1A7R 28 
A1A7R ND1 N5  N 0 1 N N N N N N 4.427  16.163 -63.111 -3.572 1.054  -0.963 ND1 A1A7R 29 
A1A7R C22 C22 C 0 1 N N S N N N 1.531  15.811 -60.223 0.599  -0.413 0.784  C22 A1A7R 30 
A1A7R C23 C23 C 0 1 N N R N N N 1.105  15.607 -58.756 1.970  -0.530 0.110  C23 A1A7R 31 
A1A7R C24 C24 C 0 1 N N N N N N 2.347  15.505 -57.853 1.949  0.275  -1.199 C24 A1A7R 32 
A1A7R C25 C25 C 0 1 N N N N N N 1.978  15.627 -56.389 3.307  0.100  -1.887 C25 A1A7R 33 
A1A7R C26 C26 C 0 1 N N N N N N 0.889  16.973 -54.733 5.676  0.542  -1.663 C26 A1A7R 34 
A1A7R C27 C27 C 0 1 N N R N N N -0.126 16.735 -56.923 4.394  -0.072 0.285  C27 A1A7R 35 
A1A7R C28 C28 C 0 1 N N N N N N -1.015 15.520 -56.647 4.773  -1.539 0.153  C28 A1A7R 36 
A1A7R C29 C29 C 0 1 Y N N N N N -0.740 14.319 -57.522 3.603  -2.409 -0.219 C29 A1A7R 37 
A1A7R C30 C30 C 0 1 Y N N N N N -1.479 13.152 -57.340 3.867  -3.733 -0.556 C30 A1A7R 38 
A1A7R C31 C31 C 0 1 Y N N N N N -1.250 12.014 -58.111 2.842  -4.592 -0.886 C31 A1A7R 39 
A1A7R C32 C32 C 0 1 Y N N N N N -0.233 12.026 -59.039 1.530  -4.140 -0.879 C32 A1A7R 40 
A1A7R O5  O4  O 0 1 N N N N N N 0.108  10.990 -59.824 0.513  -4.984 -1.195 O5  A1A7R 41 
A1A7R C33 C33 C 0 1 Y N N N N N 0.527  13.179 -59.211 1.265  -2.822 -0.547 C33 A1A7R 42 
A1A7R C34 C34 C 0 1 Y N N N N N 0.264  14.338 -58.495 2.299  -1.959 -0.224 C34 A1A7R 43 
A1A7R H1  H1  H 0 1 N N N N N N 1.125  20.319 -60.559 1.487  3.524  2.797  H1  A1A7R 44 
A1A7R H15 H2  H 0 1 N N N N N N 0.982  19.412 -62.103 0.132  2.556  3.425  H15 A1A7R 45 
A1A7R H3  H3  H 0 1 N N N N N N -0.398 19.453 -60.954 1.801  2.172  3.911  H3  A1A7R 46 
A1A7R H4  H4  H 0 1 N N N N N N 5.093  21.811 -61.365 1.413  3.264  -3.619 H4  A1A7R 47 
A1A7R H5  H5  H 0 1 N N N N N N -1.306 17.588 -61.025 1.931  -0.181 3.987  H5  A1A7R 48 
A1A7R H6  H6  H 0 1 N N N N N N -1.172 15.798 -60.983 1.373  -1.663 3.184  H6  A1A7R 49 
A1A7R H7  H7  H 0 1 N N N N N N 2.732  17.850 -61.883 -0.458 2.562  1.080  H7  A1A7R 50 
A1A7R H8  H8  H 0 1 N N N N N N 3.760  19.899 -62.182 0.131  1.957  -1.972 H8  A1A7R 51 
A1A7R H9  H9  H 0 1 N N N N N N 1.854  18.189 -58.286 2.832  2.112  0.481  H9  A1A7R 52 
A1A7R H10 H10 H 0 1 N N N N N N 0.270  18.972 -58.608 3.430  1.840  2.137  H10 A1A7R 53 
A1A7R H11 H11 H 0 1 N N N N N N 4.156  17.989 -58.403 2.351  3.764  1.190  H11 A1A7R 54 
A1A7R H12 H12 H 0 1 N N N N N N 0.762  15.588 -64.120 -1.220 -1.580 2.184  H12 A1A7R 55 
A1A7R H13 H13 H 0 1 N N N N N N 1.343  14.754 -62.639 -0.378 -1.673 3.749  H13 A1A7R 56 
A1A7R H14 H14 H 0 1 N N N N N N -0.404 15.121 -62.836 -1.997 -0.941 3.652  H14 A1A7R 57 
A1A7R H16 H16 H 0 1 N N N N N N -1.652 17.617 -59.062 3.918  -0.399 2.949  H16 A1A7R 58 
A1A7R H17 H17 H 0 1 N N N N N N -1.548 15.824 -59.026 3.323  -1.829 2.066  H17 A1A7R 59 
A1A7R H18 H18 H 0 1 N N N N N N 5.911  21.834 -59.047 3.172  4.812  -2.862 H18 A1A7R 60 
A1A7R H19 H19 H 0 1 N N N N N N 5.489  19.889 -57.580 3.638  5.066  -0.457 H19 A1A7R 61 
A1A7R HE1 H20 H 0 1 N N N N N N 5.591  15.157 -61.801 -1.642 1.052  -1.830 HE1 A1A7R 62 
A1A7R HE2 H21 H 0 1 N N N N N N 2.882  14.319 -62.266 -1.695 -1.546 -1.620 HE2 A1A7R 63 
A1A7R HD2 H23 H 0 1 N N N N N N 3.882  13.303 -64.395 -4.232 -2.039 -1.833 HD2 A1A7R 64 
A1A7R HB2 H26 H 0 1 N N N N N N 5.228  15.045 -66.123 -6.231 1.103  -1.641 HB2 A1A7R 65 
A1A7R HB3 H27 H 0 1 N N N N N N 5.440  16.716 -65.498 -6.358 -0.642 -1.965 HB3 A1A7R 66 
A1A7R HA  H28 H 0 1 N N N N Y N 2.693  15.635 -66.054 -6.006 0.583  0.807  HA  A1A7R 67 
A1A7R H   H29 H 0 1 N N N Y Y N 4.037  15.211 -67.964 -6.495 -1.645 1.494  H   A1A7R 68 
A1A7R H2  H30 H 0 1 N N N Y Y N 2.846  16.286 -68.266 -6.639 -2.156 -0.082 H2  A1A7R 69 
A1A7R HD1 H33 H 0 1 N N N N N N 5.201  16.794 -63.166 -3.822 1.959  -0.721 HD1 A1A7R 70 
A1A7R H35 H35 H 0 1 N N N N N N 1.594  14.855 -60.764 0.023  -1.338 0.763  H35 A1A7R 71 
A1A7R H36 H36 H 0 1 N N N N N N 2.832  14.532 -58.020 1.157  -0.097 -1.848 H36 A1A7R 72 
A1A7R H37 H37 H 0 1 N N N N N N 3.047  16.313 -58.114 1.781  1.330  -0.980 H37 A1A7R 73 
A1A7R H38 H38 H 0 1 N N N N N N 1.425  14.728 -56.080 3.316  0.658  -2.823 H38 A1A7R 74 
A1A7R H39 H39 H 0 1 N N N N N N 2.897  15.716 -55.791 3.478  -0.957 -2.091 H39 A1A7R 75 
A1A7R H40 H40 H 0 1 N N N N N N 1.849  17.031 -54.200 5.636  1.090  -2.604 H40 A1A7R 76 
A1A7R H41 H41 H 0 1 N N N N N N 0.316  17.895 -54.558 6.430  0.988  -1.014 H41 A1A7R 77 
A1A7R H42 H42 H 0 1 N N N N N N 0.316  16.110 -54.364 5.934  -0.498 -1.859 H42 A1A7R 78 
A1A7R H43 H43 H 0 1 N N N N N N -0.721 17.625 -56.668 5.154  0.419  0.894  H43 A1A7R 79 
A1A7R H44 H44 H 0 1 N N N N N N -2.062 15.821 -56.799 5.542  -1.636 -0.613 H44 A1A7R 80 
A1A7R H45 H45 H 0 1 N N N N N N -0.868 15.220 -55.599 5.179  -1.885 1.104  H45 A1A7R 81 
A1A7R H46 H46 H 0 1 N N N N N N -2.248 13.129 -56.583 4.886  -4.090 -0.560 H46 A1A7R 82 
A1A7R H47 H47 H 0 1 N N N N N N -1.862 11.134 -57.982 3.059  -5.616 -1.151 H47 A1A7R 83 
A1A7R H48 H48 H 0 1 N N N N N N -0.460 10.251 -59.639 0.145  -5.458 -0.436 H48 A1A7R 84 
A1A7R H49 H49 H 0 1 N N N N N N 1.342  13.171 -59.920 0.246  -2.464 -0.539 H49 A1A7R 85 
A1A7R OXT OXT O 0 1 N Y N N Y Y 3.914  18.690 -65.785 -8.460 1.371  0.176  OXT A1A7R 86 
A1A7R HXT H15 H 0 1 N N N N Y Y 3.473  19.516 -65.625 -9.422 1.470  0.180  HXT A1A7R 87 
# 
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 
A1A7R N   CA  SING N N 1  
A1A7R CA  C   SING N N 2  
A1A7R CA  CB  SING N N 3  
A1A7R O   C   DOUB N N 4  
A1A7R CB  CG  SING N N 5  
A1A7R CG  CD2 DOUB N N 6  
A1A7R CG  ND1 SING N N 7  
A1A7R CD2 NE2 SING N N 8  
A1A7R ND1 CE1 SING N N 9  
A1A7R C1  O1  SING N N 10 
A1A7R NE2 CE1 SING N N 11 
A1A7R O1  C2  SING N N 12 
A1A7R CE1 O2  SING N N 13 
A1A7R C11 C12 DOUB Y N 14 
A1A7R C11 C10 SING Y N 15 
A1A7R C8  C7  SING N N 16 
A1A7R C2  C3  SING N N 17 
A1A7R C2  C7  SING N N 18 
A1A7R C2  C22 SING N N 19 
A1A7R C9  C7  SING N N 20 
A1A7R C9  C10 SING N N 21 
A1A7R C9  N1  SING N N 22 
A1A7R C12 C13 SING Y N 23 
A1A7R O2  N1  SING N N 24 
A1A7R C3  C4  SING N N 25 
A1A7R C7  C6  SING N N 26 
A1A7R C10 C15 DOUB Y N 27 
A1A7R N1  C22 SING N N 28 
A1A7R C22 C23 SING N N 29 
A1A7R O5  C32 SING N N 30 
A1A7R C13 C14 DOUB Y N 31 
A1A7R C4  C5  SING N N 32 
A1A7R C33 C32 DOUB Y N 33 
A1A7R C33 C34 SING Y N 34 
A1A7R C15 C14 SING Y N 35 
A1A7R C32 C31 SING Y N 36 
A1A7R C6  C5  SING N N 37 
A1A7R C23 C34 SING N N 38 
A1A7R C23 C5  SING N N 39 
A1A7R C23 C24 SING N N 40 
A1A7R C34 C29 DOUB Y N 41 
A1A7R C5  C27 SING N N 42 
A1A7R C31 C30 DOUB Y N 43 
A1A7R C24 C25 SING N N 44 
A1A7R C29 C30 SING Y N 45 
A1A7R C29 C28 SING N N 46 
A1A7R C27 C28 SING N N 47 
A1A7R C27 N5  SING N N 48 
A1A7R C25 N5  SING N N 49 
A1A7R N5  C26 SING N N 50 
A1A7R C8  H1  SING N N 51 
A1A7R C8  H15 SING N N 52 
A1A7R C8  H3  SING N N 53 
A1A7R C12 H4  SING N N 54 
A1A7R C3  H5  SING N N 55 
A1A7R C3  H6  SING N N 56 
A1A7R C9  H7  SING N N 57 
A1A7R C11 H8  SING N N 58 
A1A7R C6  H9  SING N N 59 
A1A7R C6  H10 SING N N 60 
A1A7R C15 H11 SING N N 61 
A1A7R C1  H12 SING N N 62 
A1A7R C1  H13 SING N N 63 
A1A7R C1  H14 SING N N 64 
A1A7R C4  H16 SING N N 65 
A1A7R C4  H17 SING N N 66 
A1A7R C13 H18 SING N N 67 
A1A7R C14 H19 SING N N 68 
A1A7R CE1 HE1 SING N N 69 
A1A7R NE2 HE2 SING N N 70 
A1A7R CD2 HD2 SING N N 71 
A1A7R CB  HB2 SING N N 72 
A1A7R CB  HB3 SING N N 73 
A1A7R CA  HA  SING N N 74 
A1A7R N   H   SING N N 75 
A1A7R N   H2  SING N N 76 
A1A7R ND1 HD1 SING N N 77 
A1A7R C22 H35 SING N N 78 
A1A7R C24 H36 SING N N 79 
A1A7R C24 H37 SING N N 80 
A1A7R C25 H38 SING N N 81 
A1A7R C25 H39 SING N N 82 
A1A7R C26 H40 SING N N 83 
A1A7R C26 H41 SING N N 84 
A1A7R C26 H42 SING N N 85 
A1A7R C27 H43 SING N N 86 
A1A7R C28 H44 SING N N 87 
A1A7R C28 H45 SING N N 88 
A1A7R C30 H46 SING N N 89 
A1A7R C31 H47 SING N N 90 
A1A7R O5  H48 SING N N 91 
A1A7R C33 H49 SING N N 92 
A1A7R C   OXT SING N N 93 
A1A7R OXT HXT SING N N 94 
# 
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 
A1A7R SMILES           ACDLabs              14.52   "O=C(O)C(N)CC=1NC(NC=1)ON1C(c2ccccc2)C2(C)CC34CCC2(OC)C1C14CCN(C)C3Cc2ccc(O)cc21"                                                                                                                                                                                                    
A1A7R InChI            InChI                1.06    "InChI=1S/C34H43N5O5/c1-31-19-32-11-12-34(31,43-3)29(33(32)13-14-38(2)26(32)15-21-9-10-23(40)17-24(21)33)39(27(31)20-7-5-4-6-8-20)44-30-36-18-22(37-30)16-25(35)28(41)42/h4-10,17-18,25-27,29-30,36-37,40H,11-16,19,35H2,1-3H3,(H,41,42)/t25-,26+,27+,29-,30-,31-,32+,33-,34-/m0/s1" 
A1A7R InChIKey         InChI                1.06    QGCJRICIJYYSCE-ILKMKNGGSA-N                                                                                                                                                                                                                                                          
A1A7R SMILES_CANONICAL CACTVS               3.385   "CO[C@]12CC[C@]34C[C@@]1(C)[C@H](N(O[C@H]5NC=C(C[C@H](N)C(O)=O)N5)[C@H]2[C@@]36CCN(C)[C@@H]4Cc7ccc(O)cc67)c8ccccc8"                                                                                                                                                                  
A1A7R SMILES           CACTVS               3.385   "CO[C]12CC[C]34C[C]1(C)[CH](N(O[CH]5NC=C(C[CH](N)C(O)=O)N5)[CH]2[C]36CCN(C)[CH]4Cc7ccc(O)cc67)c8ccccc8"                                                                                                                                                                              
A1A7R SMILES_CANONICAL "OpenEye OEToolkits" 3.1.0.0 "C[C@@]12C[C@@]34CC[C@@]1([C@H]([C@@]35CCN([C@@H]4Cc6c5cc(cc6)O)C)N([C@@H]2c7ccccc7)O[C@H]8NC=C(N8)C[C@@H](C(=O)O)N)OC"                                                                                                                                                              
A1A7R SMILES           "OpenEye OEToolkits" 3.1.0.0 "CC12CC34CCC1(C(C35CCN(C4Cc6c5cc(cc6)O)C)N(C2c7ccccc7)OC8NC=C(N8)CC(C(=O)O)N)OC"                                                                                                                                                                                                     
# 
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 
A1A7R "SYSTEMATIC NAME" ACDLabs              14.52   "3-[(2S)-2-{[(2R,3S,3aR,5aS,6R,11bR,11cS)-10-hydroxy-3a-methoxy-3,14-dimethyl-2-phenyl-2,3,3a,4,5,6,7,11c-octahydro-1H-6,11b-(epiminoethano)-3,5a-methanonaphtho[2,1-g]indol-1-yl]oxy}-2,3-dihydro-1H-imidazol-4-yl]-L-alanine"                                              
A1A7R "SYSTEMATIC NAME" "OpenEye OEToolkits" 3.1.0.0 "(2~{S})-2-azanyl-3-[(2~{S})-2-[[(1~{R},2~{S},4~{R},5~{S},6~{R},9~{S},10~{R})-6-methoxy-5,20-dimethyl-15-oxidanyl-4-phenyl-3,20-diazahexacyclo[8.7.3.1^{5,9}.0^{1,9}.0^{2,6}.0^{12,17}]henicosa-12(17),13,15-trien-3-yl]oxy]-2,3-dihydro-1~{H}-imidazol-4-yl]propanoic acid" 
# 
_pdbx_chem_comp_pcm.pcm_id                             1 
_pdbx_chem_comp_pcm.comp_id                            A1A7R 
_pdbx_chem_comp_pcm.modified_residue_id                HIS 
_pdbx_chem_comp_pcm.type                               None 
_pdbx_chem_comp_pcm.category                           "Non-standard residue" 
_pdbx_chem_comp_pcm.position                           "Amino-acid side chain and backbone" 
_pdbx_chem_comp_pcm.polypeptide_position               "Any position" 
_pdbx_chem_comp_pcm.comp_id_linking_atom               ? 
_pdbx_chem_comp_pcm.modified_residue_id_linking_atom   ? 
_pdbx_chem_comp_pcm.uniprot_specific_ptm_accession     ? 
_pdbx_chem_comp_pcm.uniprot_generic_ptm_accession      ? 
# 
loop_
_pdbx_chem_comp_audit.comp_id 
_pdbx_chem_comp_audit.action_type 
_pdbx_chem_comp_audit.date 
_pdbx_chem_comp_audit.processing_site 
A1A7R "Create component"   2024-09-17 RCSB 
A1A7R "Initial release"    2024-09-25 RCSB 
A1A7R "Modify PCM"         2024-09-27 PDBE 
A1A7R "Other modification" 2024-10-23 RCSB 
A1A7R "Modify PCM"         2024-10-23 RCSB 
# 
