data_A1C3M
# 
_chem_comp.id                                    A1C3M 
_chem_comp.name                                  "(3S)-N-{(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl}-2-[3-methyl-N-(trifluoroacetyl)-L-valyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide" 
_chem_comp.type                                  non-polymer 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C33 H38 F3 N5 O5 S" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2025-12-16 
_chem_comp.pdbx_modified_date                    2025-12-19 
_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                        673.746 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     A1C3M 
_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        9ZO3 
_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 
A1C3M C11  C1  C 0 1 N N N N N N -21.686 15.615 -26.540 -4.136 -1.802 0.568  C11  A1C3M 1  
A1C3M C14  C2  C 0 1 N N S N N N -20.549 14.949 -29.363 -3.695 0.725  -0.711 C14  A1C3M 2  
A1C3M C15  C3  C 0 1 N N N N N N -21.113 13.611 -29.879 -3.431 1.042  -2.184 C15  A1C3M 3  
A1C3M C16  C4  C 0 1 N N N N N N -20.050 12.594 -30.261 -3.139 -0.256 -2.940 C16  A1C3M 4  
A1C3M C21  C5  C 0 1 N N N N N N -18.783 17.550 -31.602 -5.152 3.893  0.870  C21  A1C3M 5  
A1C3M C28  C6  C 0 1 N N S N N N -18.352 11.279 -24.303 1.819  -0.902 0.073  C28  A1C3M 6  
A1C3M C29  C7  C 0 1 N N N N N N -17.295 10.570 -25.096 2.757  -1.506 1.119  C29  A1C3M 7  
A1C3M C31  C8  C 0 1 N N N N N N -16.524 9.713  -27.299 3.356  0.684  2.103  C31  A1C3M 8  
A1C3M C33  C9  C 0 1 N N N N N N -18.338 8.189  -28.389 5.197  0.790  3.741  C33  A1C3M 9  
A1C3M C34  C10 C 0 1 N N N N N N -19.271 9.292  -28.061 5.932  -0.149 2.784  C34  A1C3M 10 
A1C3M C35  C11 C 0 1 N N N N N N -19.024 9.737  -26.705 4.947  -1.214 2.286  C35  A1C3M 11 
A1C3M C41  C12 C 0 1 Y N N N N N -21.441 12.520 -21.721 5.956  0.011  -1.329 C41  A1C3M 12 
A1C3M C42  C13 C 0 1 Y N N N N N -22.851 12.339 -21.704 7.328  -0.290 -1.214 C42  A1C3M 13 
A1C3M C43  C14 C 0 1 Y N N N N N -23.654 13.254 -21.047 8.262  0.694  -1.336 C43  A1C3M 14 
A1C3M C44  C15 C 0 1 Y N N N N N -23.065 14.347 -20.397 7.884  2.007  -1.574 C44  A1C3M 15 
A1C3M C45  C16 C 0 1 Y N N N N N -21.668 14.516 -20.414 6.550  2.330  -1.692 C45  A1C3M 16 
A1C3M C46  C17 C 0 1 Y N N N N N -20.846 13.590 -21.082 5.581  1.338  -1.564 C46  A1C3M 17 
A1C3M C02  C18 C 0 1 N N N N N N -19.595 13.246 -25.342 -0.405 -1.227 1.015  C02  A1C3M 18 
A1C3M C03  C19 C 0 1 N N S N N N -19.554 14.777 -25.583 -1.695 -1.999 1.120  C03  A1C3M 19 
A1C3M C04  C20 C 0 1 N N N N N N -20.033 15.386 -24.263 -1.561 -3.333 0.387  C04  A1C3M 20 
A1C3M C05  C21 C 0 1 Y N N N N N -20.742 16.725 -24.499 -2.908 -3.982 0.204  C05  A1C3M 21 
A1C3M C06  C22 C 0 1 Y N N N N N -20.570 17.820 -23.598 -2.936 -5.347 -0.052 C06  A1C3M 22 
A1C3M C07  C23 C 0 1 Y N N N N N -21.248 19.013 -23.837 -4.136 -6.002 -0.239 C07  A1C3M 23 
A1C3M C08  C24 C 0 1 Y N N N N N -22.075 19.109 -24.978 -5.322 -5.295 -0.171 C08  A1C3M 24 
A1C3M C09  C25 C 0 1 Y N N N N N -22.220 18.036 -25.867 -5.298 -3.940 0.087  C09  A1C3M 25 
A1C3M C10  C26 C 0 1 Y N N N N N -21.554 16.825 -25.605 -4.091 -3.281 0.279  C10  A1C3M 26 
A1C3M C13  C27 C 0 1 N N N N N N -19.781 14.733 -28.044 -2.547 -0.076 -0.155 C13  A1C3M 27 
A1C3M C17  C28 C 0 1 N N N N N N -22.021 13.021 -28.818 -4.661 1.719  -2.790 C17  A1C3M 28 
A1C3M C18  C29 C 0 1 N N N N N N -21.929 13.892 -31.153 -2.226 1.978  -2.296 C18  A1C3M 29 
A1C3M C20  C30 C 0 1 N N N N N N -19.798 16.936 -30.650 -5.017 2.607  0.096  C20  A1C3M 30 
A1C3M C30  C31 C 0 1 N N S N N N -17.742 10.377 -26.540 3.900  -0.529 1.404  C30  A1C3M 31 
A1C3M C37  C32 C 0 1 N N S N N N -18.022 11.319 -22.816 2.436  -1.059 -1.318 C37  A1C3M 32 
A1C3M C39  C33 C 0 1 Y N N N N N -19.219 12.052 -22.222 3.727  -0.284 -1.385 C39  A1C3M 33 
A1C3M F22  F1  F 0 1 N N N N N N -17.581 17.560 -30.962 -6.470 4.354  0.780  F22  A1C3M 34 
A1C3M F23  F2  F 0 1 N N N N N N -18.653 16.786 -32.714 -4.827 3.667  2.211  F23  A1C3M 35 
A1C3M F24  F3  F 0 1 N N N N N N -19.173 18.835 -31.903 -4.286 4.852  0.335  F24  A1C3M 36 
A1C3M N12  N1  N 0 1 N N N N N N -20.369 15.045 -26.766 -2.784 -1.240 0.482  N12  A1C3M 37 
A1C3M N19  N2  N 0 1 N N N N N N -19.617 15.556 -30.288 -3.827 1.976  0.041  N19  A1C3M 38 
A1C3M N27  N3  N 0 1 N N N N N N -18.423 12.693 -24.661 0.529  -1.596 0.116  N27  A1C3M 39 
A1C3M N32  N4  N 0 1 N N N N N N -16.864 8.586  -28.250 3.963  1.272  3.135  N32  A1C3M 40 
A1C3M N40  N5  N 0 1 Y N N N N N -20.520 11.632 -22.383 4.887  -0.804 -1.243 N40  A1C3M 41 
A1C3M O01  O1  O 0 1 N N N N N N -20.517 12.580 -25.683 -0.208 -0.274 1.738  O01  A1C3M 42 
A1C3M O25  O2  O 0 1 N N N N N N -20.698 17.575 -30.208 -5.978 2.139  -0.477 O25  A1C3M 43 
A1C3M O26  O3  O 0 1 N N N N N N -18.681 14.269 -28.031 -1.410 0.326  -0.281 O26  A1C3M 44 
A1C3M O36  O4  O 0 1 N N N N N N -15.422 10.101 -27.173 2.313  1.156  1.705  O36  A1C3M 45 
A1C3M O38  O5  O 0 1 N N N N N N -17.961 10.010 -22.356 2.698  -2.441 -1.570 O38  A1C3M 46 
A1C3M S47  S1  S 0 1 Y N N N N N -19.187 13.422 -21.332 3.823  1.398  -1.656 S47  A1C3M 47 
A1C3M H112 H1  H 0 0 N N N N N N -22.340 14.861 -26.077 -4.780 -1.309 -0.160 H112 A1C3M 48 
A1C3M H111 H2  H 0 0 N N N N N N -22.118 15.936 -27.499 -4.532 -1.640 1.571  H111 A1C3M 49 
A1C3M H141 H3  H 0 0 N N N N N N -21.388 15.634 -29.173 -4.617 0.150  -0.623 H141 A1C3M 50 
A1C3M H163 H4  H 0 0 N N N N N N -19.392 13.023 -31.031 -3.993 -0.928 -2.852 H163 A1C3M 51 
A1C3M H161 H5  H 0 0 N N N N N N -19.455 12.334 -29.373 -2.961 -0.032 -3.992 H161 A1C3M 52 
A1C3M H162 H6  H 0 0 N N N N N N -20.534 11.688 -30.656 -2.256 -0.734 -2.516 H162 A1C3M 53 
A1C3M H281 H7  H 0 0 N N N N N N -19.327 10.792 -24.454 1.669  0.156  0.287  H281 A1C3M 54 
A1C3M H292 H8  H 0 0 N N N N N N -17.103 9.586  -24.643 2.204  -1.695 2.039  H292 A1C3M 55 
A1C3M H291 H9  H 0 0 N N N N N N -16.371 11.167 -25.081 3.167  -2.444 0.742  H291 A1C3M 56 
A1C3M H331 H10 H 0 0 N N N N N N -18.519 7.874  -29.427 4.962  0.254  4.661  H331 A1C3M 57 
A1C3M H332 H11 H 0 0 N N N N N N -18.539 7.347  -27.710 5.841  1.638  3.973  H332 A1C3M 58 
A1C3M H342 H12 H 0 0 N N N N N N -19.111 10.128 -28.758 6.315  0.419  1.936  H342 A1C3M 59 
A1C3M H341 H13 H 0 0 N N N N N N -20.308 8.935  -28.148 6.760  -0.629 3.306  H341 A1C3M 60 
A1C3M H352 H14 H 0 0 N N N N N N -19.810 10.453 -26.424 5.481  -1.966 1.706  H352 A1C3M 61 
A1C3M H351 H15 H 0 0 N N N N N N -19.067 8.864  -26.038 4.457  -1.687 3.138  H351 A1C3M 62 
A1C3M H421 H16 H 0 0 N N N N N N -23.294 11.490 -22.203 7.641  -1.307 -1.028 H421 A1C3M 63 
A1C3M H431 H17 H 0 0 N N N N N N -24.726 13.127 -21.035 9.310  0.449  -1.244 H431 A1C3M 64 
A1C3M H441 H18 H 0 0 N N N N N N -23.686 15.063 -19.880 8.635  2.777  -1.668 H441 A1C3M 65 
A1C3M H451 H19 H 0 0 N N N N N N -21.224 15.362 -19.911 6.256  3.353  -1.877 H451 A1C3M 66 
A1C3M H031 H20 H 0 0 N N N N N N -18.513 15.082 -25.764 -1.934 -2.176 2.169  H031 A1C3M 67 
A1C3M H042 H21 H 0 0 N N N N N N -20.733 14.689 -23.779 -1.110 -3.161 -0.590 H042 A1C3M 68 
A1C3M H041 H22 H 0 0 N N N N N N -19.165 15.549 -23.607 -0.920 -3.998 0.966  H041 A1C3M 69 
A1C3M H061 H23 H 0 0 N N N N N N -19.921 17.724 -22.740 -2.010 -5.900 -0.106 H061 A1C3M 70 
A1C3M H071 H24 H 0 0 N N N N N N -21.143 19.850 -23.162 -4.148 -7.063 -0.438 H071 A1C3M 71 
A1C3M H081 H25 H 0 0 N N N N N N -22.607 20.029 -25.169 -6.264 -5.802 -0.320 H081 A1C3M 72 
A1C3M H091 H26 H 0 0 N N N N N N -22.838 18.138 -26.747 -6.224 -3.388 0.141  H091 A1C3M 73 
A1C3M H173 H27 H 0 0 N N N N N N -22.790 13.757 -28.542 -4.869 2.644  -2.251 H173 A1C3M 74 
A1C3M H172 H28 H 0 0 N N N N N N -22.505 12.116 -29.212 -4.473 1.945  -3.839 H172 A1C3M 75 
A1C3M H171 H29 H 0 0 N N N N N N -21.426 12.762 -27.930 -5.520 1.052  -2.710 H171 A1C3M 76 
A1C3M H181 H30 H 0 0 N N N N N N -22.717 14.627 -30.930 -1.349 1.495  -1.865 H181 A1C3M 77 
A1C3M H182 H31 H 0 0 N N N N N N -21.265 14.292 -31.933 -2.037 2.204  -3.346 H182 A1C3M 78 
A1C3M H183 H32 H 0 0 N N N N N N -22.389 12.958 -31.507 -2.433 2.903  -1.758 H183 A1C3M 79 
A1C3M H301 H33 H 0 0 N N N N N N -17.833 11.387 -26.965 4.362  -0.228 0.463  H301 A1C3M 80 
A1C3M H371 H34 H 0 0 N N N N N N -17.093 11.880 -22.637 1.744  -0.678 -2.068 H371 A1C3M 81 
A1C3M H191 H35 H 0 0 N N N N N N -18.860 15.025 -30.669 -3.058 2.350  0.499  H191 A1C3M 82 
A1C3M H271 H36 H 0 0 N N N N N N -17.657 13.295 -24.437 0.348  -2.321 -0.503 H271 A1C3M 83 
A1C3M H321 H37 H 0 0 N N N N N N -16.151 8.116  -28.770 3.557  2.072  3.505  H321 A1C3M 84 
A1C3M H381 H38 H 0 0 N N N N N N -17.756 10.009 -21.428 3.308  -2.848 -0.939 H381 A1C3M 85 
# 
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 
A1C3M C02 O01  DOUB N N 1  
A1C3M C04 C03  SING N N 2  
A1C3M C05 C04  SING N N 3  
A1C3M C07 C06  SING Y N 4  
A1C3M C08 C07  DOUB Y N 5  
A1C3M C09 C08  SING Y N 6  
A1C3M C06 C05  DOUB Y N 7  
A1C3M C10 C05  SING Y N 8  
A1C3M C11 C10  SING N N 9  
A1C3M N12 C11  SING N N 10 
A1C3M C13 N12  SING N N 11 
A1C3M C16 C15  SING N N 12 
A1C3M C17 C15  SING N N 13 
A1C3M C18 C15  SING N N 14 
A1C3M C15 C14  SING N N 15 
A1C3M N19 C14  SING N N 16 
A1C3M C20 N19  SING N N 17 
A1C3M F22 C21  SING N N 18 
A1C3M F23 C21  SING N N 19 
A1C3M F24 C21  SING N N 20 
A1C3M C21 C20  SING N N 21 
A1C3M O25 C20  DOUB N N 22 
A1C3M C14 C13  SING N N 23 
A1C3M O26 C13  DOUB N N 24 
A1C3M C03 C02  SING N N 25 
A1C3M N27 C02  SING N N 26 
A1C3M C28 N27  SING N N 27 
A1C3M C30 C29  SING N N 28 
A1C3M C31 C30  SING N N 29 
A1C3M C33 N32  SING N N 30 
A1C3M C34 C33  SING N N 31 
A1C3M C35 C34  SING N N 32 
A1C3M N32 C31  SING N N 33 
A1C3M O36 C31  DOUB N N 34 
A1C3M C29 C28  SING N N 35 
A1C3M C37 C28  SING N N 36 
A1C3M O38 C37  SING N N 37 
A1C3M C39 C37  SING N N 38 
A1C3M N40 C39  DOUB Y N 39 
A1C3M C41 N40  SING Y N 40 
A1C3M C43 C42  DOUB Y N 41 
A1C3M C44 C43  SING Y N 42 
A1C3M C45 C44  DOUB Y N 43 
A1C3M C42 C41  SING Y N 44 
A1C3M C46 C41  DOUB Y N 45 
A1C3M S47 C46  SING Y N 46 
A1C3M C03 N12  SING N N 47 
A1C3M C09 C10  DOUB Y N 48 
A1C3M C30 C35  SING N N 49 
A1C3M C39 S47  SING Y N 50 
A1C3M C45 C46  SING Y N 51 
A1C3M C11 H112 SING N N 52 
A1C3M C11 H111 SING N N 53 
A1C3M C14 H141 SING N N 54 
A1C3M C16 H163 SING N N 55 
A1C3M C16 H161 SING N N 56 
A1C3M C16 H162 SING N N 57 
A1C3M C28 H281 SING N N 58 
A1C3M C29 H292 SING N N 59 
A1C3M C29 H291 SING N N 60 
A1C3M C33 H331 SING N N 61 
A1C3M C33 H332 SING N N 62 
A1C3M C34 H342 SING N N 63 
A1C3M C34 H341 SING N N 64 
A1C3M C35 H352 SING N N 65 
A1C3M C35 H351 SING N N 66 
A1C3M C42 H421 SING N N 67 
A1C3M C43 H431 SING N N 68 
A1C3M C44 H441 SING N N 69 
A1C3M C45 H451 SING N N 70 
A1C3M C03 H031 SING N N 71 
A1C3M C04 H042 SING N N 72 
A1C3M C04 H041 SING N N 73 
A1C3M C06 H061 SING N N 74 
A1C3M C07 H071 SING N N 75 
A1C3M C08 H081 SING N N 76 
A1C3M C09 H091 SING N N 77 
A1C3M C17 H173 SING N N 78 
A1C3M C17 H172 SING N N 79 
A1C3M C17 H171 SING N N 80 
A1C3M C18 H181 SING N N 81 
A1C3M C18 H182 SING N N 82 
A1C3M C18 H183 SING N N 83 
A1C3M C30 H301 SING N N 84 
A1C3M C37 H371 SING N N 85 
A1C3M N19 H191 SING N N 86 
A1C3M N27 H271 SING N N 87 
A1C3M N32 H321 SING N N 88 
A1C3M O38 H381 SING N N 89 
# 
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 
A1C3M SMILES           ACDLabs              14.52   "FC(F)(F)C(=O)NC(C(=O)N1Cc2ccccc2CC1C(=O)NC(CC1CCCNC1=O)C(O)c1nc2ccccc2s1)C(C)(C)C"                                                                                                                                                                                                       
A1C3M InChI            InChI                1.06    "InChI=1S/C33H38F3N5O5S/c1-32(2,3)26(40-31(46)33(34,35)36)30(45)41-17-20-10-5-4-9-18(20)16-23(41)28(44)38-22(15-19-11-8-14-37-27(19)43)25(42)29-39-21-12-6-7-13-24(21)47-29/h4-7,9-10,12-13,19,22-23,25-26,42H,8,11,14-17H2,1-3H3,(H,37,43)(H,38,44)(H,40,46)/t19-,22-,23-,25-,26+/m0/s1" 
A1C3M InChIKey         InChI                1.06    DBFUHXJHDXLDQC-IXCSSYKCSA-N                                                                                                                                                                                                                                                               
A1C3M SMILES_CANONICAL CACTVS               3.385   "CC(C)(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](C[C@@H]3CCCNC3=O)[C@H](O)c4sc5ccccc5n4"                                                                                                                                                                                 
A1C3M SMILES           CACTVS               3.385   "CC(C)(C)[CH](NC(=O)C(F)(F)F)C(=O)N1Cc2ccccc2C[CH]1C(=O)N[CH](C[CH]3CCCNC3=O)[CH](O)c4sc5ccccc5n4"                                                                                                                                                                                        
A1C3M SMILES_CANONICAL "OpenEye OEToolkits" 3.1.0.0 "CC(C)(C)[C@@H](C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](C[C@@H]3CCCNC3=O)[C@@H](c4nc5ccccc5s4)O)NC(=O)C(F)(F)F"                                                                                                                                                                               
A1C3M SMILES           "OpenEye OEToolkits" 3.1.0.0 "CC(C)(C)C(C(=O)N1Cc2ccccc2CC1C(=O)NC(CC3CCCNC3=O)C(c4nc5ccccc5s4)O)NC(=O)C(F)(F)F"                                                                                                                                                                                                       
# 
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 
A1C3M "SYSTEMATIC NAME" ACDLabs              14.52   "(3S)-N-{(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl}-2-[3-methyl-N-(trifluoroacetyl)-L-valyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide"                                                          
A1C3M "SYSTEMATIC NAME" "OpenEye OEToolkits" 3.1.0.0 "(3~{S})-~{N}-[(1~{S},2~{S})-1-(1,3-benzothiazol-2-yl)-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-2-[(2~{S})-3,3-dimethyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]butanoyl]-3,4-dihydro-1~{H}-isoquinoline-3-carboxamide" 
# 
loop_
_pdbx_chem_comp_audit.comp_id 
_pdbx_chem_comp_audit.action_type 
_pdbx_chem_comp_audit.date 
_pdbx_chem_comp_audit.processing_site 
A1C3M "Create component" 2025-12-16 RCSB 
A1C3M "Modify PCM"       2025-12-16 RCSB 
A1C3M "Initial release"  2025-12-24 RCSB 
# 
_pdbx_chem_comp_pcm.pcm_id                             1 
_pdbx_chem_comp_pcm.comp_id                            A1C3M 
_pdbx_chem_comp_pcm.modified_residue_id                CYS 
_pdbx_chem_comp_pcm.type                               None 
_pdbx_chem_comp_pcm.category                           "Covalent chemical modification" 
_pdbx_chem_comp_pcm.position                           "Amino-acid side chain" 
_pdbx_chem_comp_pcm.polypeptide_position               "Any position" 
_pdbx_chem_comp_pcm.comp_id_linking_atom               C37 
_pdbx_chem_comp_pcm.modified_residue_id_linking_atom   SG 
_pdbx_chem_comp_pcm.uniprot_specific_ptm_accession     ? 
_pdbx_chem_comp_pcm.uniprot_generic_ptm_accession      ? 
# 
