data_A1C3L
# 
_chem_comp.id                                    A1C3L 
_chem_comp.name                                  "(3S)-N-[(1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-1-(4-phenyl-1,3-thiazol-2-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                               "C34 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                        685.756 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     A1C3L 
_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        9ZNL 
_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 
A1C3L C13  C1  C 0 1 N N N N N N 7.353  25.148 23.725 -2.420 -0.368 -0.441 C13  A1C3L 1  
A1C3L C15  C2  C 0 1 N N N N N N 9.221  23.446 23.733 -3.522 -1.305 1.573  C15  A1C3L 2  
A1C3L C21  C3  C 0 1 N N N N N N 5.103  21.702 25.566 -3.144 -5.161 -0.752 C21  A1C3L 3  
A1C3L C29  C4  C 0 1 N N N N N N 7.718  27.937 18.836 2.471  2.823  0.314  C29  A1C3L 4  
A1C3L C31  C5  C 0 1 N N N N N N 7.636  25.753 17.813 2.937  5.144  -0.488 C31  A1C3L 5  
A1C3L C34  C6  C 0 1 N N N N N N 9.478  26.197 19.217 2.836  3.374  -2.125 C34  A1C3L 6  
A1C3L C38  C7  C 0 1 Y N N N N N 8.621  31.181 20.759 3.343  0.091  1.093  C38  A1C3L 7  
A1C3L C42  C8  C 0 1 Y N N N N N 10.078 32.782 25.005 7.019  -2.768 0.318  C42  A1C3L 8  
A1C3L C44  C9  C 0 1 Y N N N N N 10.536 31.359 26.892 6.780  -4.891 -0.765 C44  A1C3L 9  
A1C3L C46  C10 C 0 1 Y N N N N N 10.163 30.410 24.724 4.854  -3.503 -0.449 C46  A1C3L 10 
A1C3L C02  C11 C 0 1 N N N N N N 7.954  27.920 22.306 -0.550 1.491  -1.011 C02  A1C3L 11 
A1C3L C03  C12 C 0 1 N N S N N N 6.970  27.604 23.482 -1.980 1.957  -1.111 C03  A1C3L 12 
A1C3L C04  C13 C 0 1 N N N N N N 6.777  28.888 24.273 -2.239 3.054  -0.081 C04  A1C3L 13 
A1C3L C05  C14 C 0 1 Y N N N N N 6.684  28.611 25.792 -3.715 3.319  0.061  C05  A1C3L 14 
A1C3L C06  C15 C 0 1 Y N N N N N 5.837  29.405 26.611 -4.102 4.535  0.609  C06  A1C3L 15 
A1C3L C07  C16 C 0 1 Y N N N N N 5.790  29.160 27.998 -5.438 4.837  0.775  C07  A1C3L 16 
A1C3L C08  C17 C 0 1 Y N N N N N 6.569  28.134 28.541 -6.402 3.922  0.395  C08  A1C3L 17 
A1C3L C09  C18 C 0 1 Y N N N N N 7.391  27.348 27.745 -6.020 2.714  -0.152 C09  A1C3L 18 
A1C3L C10  C19 C 0 1 Y N N N N N 7.455  27.612 26.351 -4.677 2.412  -0.326 C10  A1C3L 19 
A1C3L C11  C20 C 0 1 N N N N N N 8.336  26.755 25.436 -4.329 1.086  -0.955 C11  A1C3L 20 
A1C3L C14  C21 C 0 1 N N S N N N 7.965  23.922 24.454 -3.371 -1.426 0.055  C14  A1C3L 21 
A1C3L C16  C22 C 0 1 N N N N N N 9.643  22.195 24.499 -4.053 0.086  1.923  C16  A1C3L 22 
A1C3L C17  C23 C 0 1 N N N N N N 10.306 24.562 23.819 -4.503 -2.367 2.075  C17  A1C3L 23 
A1C3L C18  C24 C 0 1 N N N N N N 8.970  23.148 22.281 -2.160 -1.514 2.239  C18  A1C3L 24 
A1C3L C20  C25 C 0 1 N N N N N N 6.307  22.651 25.656 -3.685 -3.798 -0.408 C20  A1C3L 25 
A1C3L C28  C26 C 0 1 N N S N N N 8.127  28.851 20.002 1.648  1.563  0.039  C28  A1C3L 26 
A1C3L C30  C27 C 0 1 N N S N N N 7.983  26.411 18.985 2.216  3.850  -0.791 C30  A1C3L 27 
A1C3L C33  C28 C 0 1 N N N N N N 9.772  25.032 18.347 3.334  4.704  -2.733 C33  A1C3L 28 
A1C3L C36  C29 C 0 1 N N S N N N 7.758  30.363 19.764 1.904  0.535  1.144  C36  A1C3L 29 
A1C3L C40  C30 C 0 1 Y N N N N N 9.645  31.859 22.698 5.049  -1.278 0.661  C40  A1C3L 30 
A1C3L C41  C31 C 0 1 Y N N N N N 9.978  31.686 24.192 5.652  -2.540 0.167  C41  A1C3L 31 
A1C3L C43  C32 C 0 1 Y N N N N N 10.349 32.633 26.368 7.576  -3.942 -0.148 C43  A1C3L 32 
A1C3L C45  C33 C 0 1 Y N N N N N 10.429 30.256 26.081 5.423  -4.670 -0.917 C45  A1C3L 33 
A1C3L C47  C34 C 0 1 Y N N N N N 10.032 32.885 21.945 5.779  -0.268 1.175  C47  A1C3L 34 
A1C3L F22  F1  F 0 1 N N N N N N 4.681  21.393 26.819 -4.199 -6.076 -0.831 F22  A1C3L 35 
A1C3L F23  F2  F 0 1 N N N N N N 5.288  20.588 24.878 -2.483 -5.104 -1.984 F23  A1C3L 36 
A1C3L F24  F3  F 0 1 N N N N N N 4.081  22.340 24.967 -2.246 -5.570 0.240  F24  A1C3L 37 
A1C3L N12  N1  N 0 1 N N N N N N 7.556  26.490 24.242 -2.890 0.837  -0.819 N12  A1C3L 38 
A1C3L N19  N2  N 0 1 N N N N N N 6.879  22.980 24.499 -2.845 -2.752 -0.279 N19  A1C3L 39 
A1C3L N27  N3  N 0 1 N N N N N N 7.393  28.419 21.215 0.224  1.906  0.012  N27  A1C3L 40 
A1C3L N32  N4  N 0 1 N N N N N N 8.640  24.986 17.363 3.558  5.597  -1.590 N32  A1C3L 41 
A1C3L N39  N5  N 0 1 Y N N N N N 8.886  30.953 22.034 3.745  -1.044 0.635  N39  A1C3L 42 
A1C3L O01  O1  O 0 1 N N N N N N 9.124  27.644 22.383 -0.095 0.742  -1.850 O01  A1C3L 43 
A1C3L O25  O2  O 0 1 N N N N N N 6.670  23.065 26.727 -4.877 -3.641 -0.249 O25  A1C3L 44 
A1C3L O26  O3  O 0 1 N N N N N N 6.727  25.058 22.700 -1.231 -0.600 -0.496 O26  A1C3L 45 
A1C3L O35  O4  O 0 1 N N N N N N 6.572  25.795 17.190 2.948  5.696  0.592  O35  A1C3L 46 
A1C3L O37  O5  O 0 1 N N N N N N 8.408  30.750 18.571 1.633  1.127  2.416  O37  A1C3L 47 
A1C3L S48  S1  S 0 1 Y N N N N N 9.506  32.644 20.302 4.671  1.024  1.628  S48  A1C3L 48 
A1C3L H292 H1  H 0 0 N N N N N N 8.263  28.279 17.944 2.180  3.244  1.276  H292 A1C3L 49 
A1C3L H291 H2  H 0 0 N N N N N N 6.637  28.069 18.679 3.530  2.567  0.335  H291 A1C3L 50 
A1C3L H341 H3  H 0 0 N N N N N N 9.688  25.969 20.272 3.667  2.691  -1.948 H341 A1C3L 51 
A1C3L H342 H4  H 0 0 N N N N N N 10.059 27.079 18.910 2.083  2.911  -2.763 H342 A1C3L 52 
A1C3L H421 H5  H 0 0 N N N N N N 9.946  33.770 24.590 7.642  -2.026 0.795  H421 A1C3L 53 
A1C3L H441 H6  H 0 0 N N N N N N 10.766 31.236 27.940 7.220  -5.807 -1.128 H441 A1C3L 54 
A1C3L H461 H7  H 0 0 N N N N N N 10.100 29.543 24.084 3.795  -3.331 -0.569 H461 A1C3L 55 
A1C3L H031 H8  H 0 0 N N N N N N 6.004  27.296 23.056 -2.174 2.338  -2.114 H031 A1C3L 56 
A1C3L H042 H9  H 0 0 N N N N N N 7.630  29.556 24.083 -1.837 2.744  0.883  H042 A1C3L 57 
A1C3L H041 H10 H 0 0 N N N N N N 5.848  29.376 23.941 -1.741 3.970  -0.399 H041 A1C3L 58 
A1C3L H061 H11 H 0 0 N N N N N N 5.235  30.189 26.175 -3.351 5.251  0.908  H061 A1C3L 59 
A1C3L H071 H12 H 0 0 N N N N N N 5.158  29.760 28.636 -5.730 5.785  1.201  H071 A1C3L 60 
A1C3L H081 H13 H 0 0 N N N N N N 6.530  27.949 29.604 -7.449 4.151  0.527  H081 A1C3L 61 
A1C3L H091 H14 H 0 0 N N N N N N 7.973  26.548 28.179 -6.773 1.998  -0.448 H091 A1C3L 62 
A1C3L H111 H15 H 0 0 N N N N N N 9.256  27.299 25.176 -4.883 0.291  -0.456 H111 A1C3L 63 
A1C3L H112 H16 H 0 0 N N N N N N 8.598  25.811 25.936 -4.595 1.105  -2.011 H112 A1C3L 64 
A1C3L H141 H17 H 0 0 N N N N N N 8.238  24.227 25.475 -4.344 -1.292 -0.418 H141 A1C3L 65 
A1C3L H163 H18 H 0 0 N N N N N N 8.856  21.431 24.417 -4.979 0.269  1.378  H163 A1C3L 66 
A1C3L H161 H19 H 0 0 N N N N N N 10.579 21.804 24.075 -4.244 0.143  2.995  H161 A1C3L 67 
A1C3L H162 H20 H 0 0 N N N N N N 9.798  22.449 25.558 -3.313 0.838  1.646  H162 A1C3L 68 
A1C3L H172 H21 H 0 0 N N N N N N 9.969  25.446 23.257 -4.125 -3.358 1.825  H172 A1C3L 69 
A1C3L H171 H22 H 0 0 N N N N N N 10.467 24.836 24.872 -4.610 -2.280 3.156  H171 A1C3L 70 
A1C3L H173 H23 H 0 0 N N N N N N 11.248 24.191 23.388 -5.473 -2.218 1.600  H173 A1C3L 71 
A1C3L H183 H24 H 0 0 N N N N N N 8.669  24.071 21.763 -1.461 -0.758 1.882  H183 A1C3L 72 
A1C3L H181 H25 H 0 0 N N N N N N 9.890  22.754 21.823 -2.267 -1.428 3.320  H181 A1C3L 73 
A1C3L H182 H26 H 0 0 N N N N N N 8.168  22.400 22.194 -1.782 -2.505 1.989  H182 A1C3L 74 
A1C3L H281 H27 H 0 0 N N N N N N 9.212  28.770 20.167 1.939  1.141  -0.923 H281 A1C3L 75 
A1C3L H301 H28 H 0 0 N N N N N N 7.418  26.028 19.848 1.146  4.026  -0.907 H301 A1C3L 76 
A1C3L H332 H29 H 0 0 N N N N N N 9.807  24.106 18.940 4.265  4.545  -3.276 H332 A1C3L 77 
A1C3L H331 H30 H 0 0 N N N N N N 10.731 25.171 17.827 2.576  5.123  -3.396 H331 A1C3L 78 
A1C3L H361 H31 H 0 0 N N N N N N 6.680  30.571 19.828 1.252  -0.326 0.997  H361 A1C3L 79 
A1C3L H431 H32 H 0 0 N N N N N N 10.413 33.500 27.009 8.635  -4.119 -0.032 H431 A1C3L 80 
A1C3L H451 H33 H 0 0 N N N N N N 10.552 29.267 26.497 4.807  -5.412 -1.403 H451 A1C3L 81 
A1C3L H471 H34 H 0 0 N N N N N N 10.589 33.740 22.299 6.853  -0.253 1.288  H471 A1C3L 82 
A1C3L H191 H35 H 0 0 N N N N N N 6.549  22.567 23.650 -1.891 -2.877 -0.407 H191 A1C3L 83 
A1C3L H271 H36 H 0 0 N N N N N N 6.397  28.511 21.209 -0.162 2.431  0.730  H271 A1C3L 84 
A1C3L H321 H37 H 0 0 N N N N N N 8.635  24.467 16.508 4.087  6.410  -1.626 H321 A1C3L 85 
A1C3L H371 H38 H 0 0 N N N N N N 8.214  31.661 18.385 2.178  1.901  2.614  H371 A1C3L 86 
# 
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 
A1C3L C02 O01  DOUB N N 1  
A1C3L C04 C03  SING N N 2  
A1C3L C05 C04  SING N N 3  
A1C3L C07 C06  SING Y N 4  
A1C3L C08 C07  DOUB Y N 5  
A1C3L C09 C08  SING Y N 6  
A1C3L C06 C05  DOUB Y N 7  
A1C3L C10 C05  SING Y N 8  
A1C3L C11 C10  SING N N 9  
A1C3L N12 C11  SING N N 10 
A1C3L C13 N12  SING N N 11 
A1C3L C16 C15  SING N N 12 
A1C3L C17 C15  SING N N 13 
A1C3L C18 C15  SING N N 14 
A1C3L C15 C14  SING N N 15 
A1C3L N19 C14  SING N N 16 
A1C3L C20 N19  SING N N 17 
A1C3L F22 C21  SING N N 18 
A1C3L F23 C21  SING N N 19 
A1C3L F24 C21  SING N N 20 
A1C3L C21 C20  SING N N 21 
A1C3L O25 C20  DOUB N N 22 
A1C3L C14 C13  SING N N 23 
A1C3L O26 C13  DOUB N N 24 
A1C3L C03 C02  SING N N 25 
A1C3L N27 C02  SING N N 26 
A1C3L C28 N27  SING N N 27 
A1C3L C30 C29  SING N N 28 
A1C3L C31 C30  SING N N 29 
A1C3L C33 N32  SING N N 30 
A1C3L C34 C33  SING N N 31 
A1C3L N32 C31  SING N N 32 
A1C3L O35 C31  DOUB N N 33 
A1C3L C29 C28  SING N N 34 
A1C3L C36 C28  SING N N 35 
A1C3L O37 C36  SING N N 36 
A1C3L C38 C36  SING N N 37 
A1C3L N39 C38  DOUB Y N 38 
A1C3L C40 N39  SING Y N 39 
A1C3L C42 C41  DOUB Y N 40 
A1C3L C43 C42  SING Y N 41 
A1C3L C44 C43  DOUB Y N 42 
A1C3L C45 C44  SING Y N 43 
A1C3L C46 C45  DOUB Y N 44 
A1C3L C41 C40  SING N N 45 
A1C3L C47 C40  DOUB Y N 46 
A1C3L S48 C47  SING Y N 47 
A1C3L C03 N12  SING N N 48 
A1C3L C09 C10  DOUB Y N 49 
A1C3L C30 C34  SING N N 50 
A1C3L C38 S48  SING Y N 51 
A1C3L C41 C46  SING Y N 52 
A1C3L C29 H292 SING N N 53 
A1C3L C29 H291 SING N N 54 
A1C3L C34 H341 SING N N 55 
A1C3L C34 H342 SING N N 56 
A1C3L C42 H421 SING N N 57 
A1C3L C44 H441 SING N N 58 
A1C3L C46 H461 SING N N 59 
A1C3L C03 H031 SING N N 60 
A1C3L C04 H042 SING N N 61 
A1C3L C04 H041 SING N N 62 
A1C3L C06 H061 SING N N 63 
A1C3L C07 H071 SING N N 64 
A1C3L C08 H081 SING N N 65 
A1C3L C09 H091 SING N N 66 
A1C3L C11 H111 SING N N 67 
A1C3L C11 H112 SING N N 68 
A1C3L C14 H141 SING N N 69 
A1C3L C16 H163 SING N N 70 
A1C3L C16 H161 SING N N 71 
A1C3L C16 H162 SING N N 72 
A1C3L C17 H172 SING N N 73 
A1C3L C17 H171 SING N N 74 
A1C3L C17 H173 SING N N 75 
A1C3L C18 H183 SING N N 76 
A1C3L C18 H181 SING N N 77 
A1C3L C18 H182 SING N N 78 
A1C3L C28 H281 SING N N 79 
A1C3L C30 H301 SING N N 80 
A1C3L C33 H332 SING N N 81 
A1C3L C33 H331 SING N N 82 
A1C3L C36 H361 SING N N 83 
A1C3L C43 H431 SING N N 84 
A1C3L C45 H451 SING N N 85 
A1C3L C47 H471 SING N N 86 
A1C3L N19 H191 SING N N 87 
A1C3L N27 H271 SING N N 88 
A1C3L N32 H321 SING N N 89 
A1C3L O37 H371 SING N N 90 
# 
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 
A1C3L SMILES           ACDLabs              14.52   "OC(c1nc(cs1)c1ccccc1)C(CC1CCNC1=O)NC(=O)C1Cc2ccccc2CN1C(=O)C(NC(=O)C(F)(F)F)C(C)(C)C"                                                                                                                                                                                        
A1C3L InChI            InChI                1.06    "InChI=1S/C34H38F3N5O5S/c1-33(2,3)27(41-32(47)34(35,36)37)31(46)42-17-22-12-8-7-11-20(22)16-25(42)29(45)39-23(15-21-13-14-38-28(21)44)26(43)30-40-24(18-48-30)19-9-5-4-6-10-19/h4-12,18,21,23,25-27,43H,13-17H2,1-3H3,(H,38,44)(H,39,45)(H,41,47)/t21-,23-,25-,26-,27+/m0/s1" 
A1C3L InChIKey         InChI                1.06    WDWBFOPEPYNLFT-ZNNHMPJGSA-N                                                                                                                                                                                                                                                   
A1C3L 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]3CCNC3=O)[C@H](O)c4scc(n4)c5ccccc5"                                                                                                                                                                  
A1C3L SMILES           CACTVS               3.385   "CC(C)(C)[CH](NC(=O)C(F)(F)F)C(=O)N1Cc2ccccc2C[CH]1C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)c4scc(n4)c5ccccc5"                                                                                                                                                                         
A1C3L 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]3CCNC3=O)[C@@H](c4nc(cs4)c5ccccc5)O)NC(=O)C(F)(F)F"                                                                                                                                                                
A1C3L SMILES           "OpenEye OEToolkits" 3.1.0.0 "CC(C)(C)C(C(=O)N1Cc2ccccc2CC1C(=O)NC(CC3CCNC3=O)C(c4nc(cs4)c5ccccc5)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 
A1C3L "SYSTEMATIC NAME" ACDLabs              14.52   "(3S)-N-[(1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-1-(4-phenyl-1,3-thiazol-2-yl)propan-2-yl]-2-[3-methyl-N-(trifluoroacetyl)-L-valyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide"                                                          
A1C3L "SYSTEMATIC NAME" "OpenEye OEToolkits" 3.1.0.0 "(3~{S})-2-[(2~{S})-3,3-dimethyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]butanoyl]-~{N}-[(1~{S},2~{S})-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-1-(4-phenyl-1,3-thiazol-2-yl)propan-2-yl]-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 
A1C3L "Create component" 2025-12-16 RCSB 
A1C3L "Modify PCM"       2025-12-16 RCSB 
A1C3L "Initial release"  2025-12-24 RCSB 
# 
_pdbx_chem_comp_pcm.pcm_id                             1 
_pdbx_chem_comp_pcm.comp_id                            A1C3L 
_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               C36 
_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      ? 
# 
