data_A1B7C
# 
_chem_comp.id                                    A1B7C 
_chem_comp.name                                  "(1R,2S,5S)-N-{(1S,2S)-1-(5-chloro-1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide" 
_chem_comp.type                                  non-polymer 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C30 H37 Cl F3 N5 O5 S" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         TKB-277-5Cl 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2025-03-28 
_chem_comp.pdbx_modified_date                    2025-05-30 
_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                        672.158 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     A1B7C 
_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        9NWA 
_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 
A1B7C C4  C1  C  0 1 N N N N N N 21.387 14.483 31.351 4.976  -0.441 -3.359 C4  A1B7C 1  
A1B7C C14 C2  C  0 1 N N S N N N 17.900 12.095 24.451 -2.323 0.058  0.945  C14 A1B7C 2  
A1B7C C5  C3  C  0 1 N N S N N N 19.967 15.374 29.516 4.351  0.205  -1.028 C5  A1B7C 3  
A1B7C C6  C4  C  0 1 N N N N N N 19.385 17.285 30.903 6.770  -0.090 -1.024 C6  A1B7C 4  
A1B7C C11 C5  C  0 1 N N R N N N 19.532 16.441 24.873 1.269  2.784  1.443  C11 A1B7C 5  
A1B7C C7  C6  C  0 1 N N N N N N 18.289 17.930 31.763 8.020  -0.758 -0.512 C7  A1B7C 6  
A1B7C C8  C7  C  0 1 N N N N N N 19.152 15.174 28.243 3.274  0.128  0.024  C8  A1B7C 7  
A1B7C C9  C8  C  0 1 N N N N N N 20.753 16.651 26.964 2.174  2.276  -0.774 C9  A1B7C 8  
A1B7C C10 C9  C  0 1 N N S N N N 20.676 17.155 25.542 1.844  3.448  0.175  C10 A1B7C 9  
A1B7C C12 C10 C  0 1 N N S N N N 18.880 15.502 25.887 1.302  1.269  1.150  C12 A1B7C 10 
A1B7C C13 C11 C  0 1 N N N N N N 19.025 14.050 25.472 -0.029 0.808  0.613  C13 A1B7C 11 
A1B7C N1  N1  N  0 1 N N N N N N 19.104 16.070 30.458 5.566  -0.444 -0.530 N1  A1B7C 12 
A1B7C N2  N2  N  0 1 N N N N N N 19.597 15.756 27.132 2.356  1.110  0.122  N2  A1B7C 13 
A1B7C C3  C12 C  0 1 N N N N N N 19.564 13.018 30.453 2.616  0.183  -2.825 C3  A1B7C 14 
A1B7C N3  N3  N  0 1 N N N N N N 17.943 13.482 24.900 -1.053 0.577  1.458  N3  A1B7C 15 
A1B7C C1  C13 C  0 1 N N N N N N 21.595 13.538 29.070 3.562  -1.968 -1.976 C1  A1B7C 16 
A1B7C C2  C14 C  0 1 N N N N N N 20.602 14.085 30.092 3.876  -0.505 -2.297 C2  A1B7C 17 
A1B7C O1  O1  O  0 1 N N N N N N 20.411 17.904 30.706 6.846  0.766  -1.879 O1  A1B7C 18 
A1B7C F1  F1  F  0 1 N N N N N N 18.180 17.401 32.943 8.139  -0.533 0.864  F1  A1B7C 19 
A1B7C F2  F2  F  0 1 N N N N N N 17.078 17.585 31.391 7.947  -2.134 -0.756 F2  A1B7C 20 
A1B7C F3  F3  F  0 1 N N N N N N 18.327 19.267 31.785 9.135  -0.227 -1.169 F3  A1B7C 21 
A1B7C O2  O2  O  0 1 N N N N N N 18.134 14.522 28.263 3.233  -0.818 0.782  O2  A1B7C 22 
A1B7C O3  O3  O  0 1 N N N N N N 20.106 13.481 25.654 -0.179 0.647  -0.579 O3  A1B7C 23 
A1B7C C15 C15 C  0 1 N N N N N N 16.845 11.254 25.200 -2.489 -1.401 1.375  C15 A1B7C 24 
A1B7C C16 C16 C  0 1 N N S N N N 17.285 11.087 26.657 -1.338 -2.234 0.806  C16 A1B7C 25 
A1B7C C17 C17 C  0 1 N N N N N N 18.591 10.352 26.968 -1.696 -3.738 0.827  C17 A1B7C 26 
A1B7C C18 C18 C  0 1 N N N N N N 18.309 9.556  28.222 -0.333 -4.381 1.167  C18 A1B7C 27 
A1B7C N4  N4  N  0 1 N N N N N N 16.851 9.496  28.273 0.420  -3.346 1.886  N4  A1B7C 28 
A1B7C C19 C19 C  0 1 N N N N N N 16.241 10.382 27.496 -0.119 -2.130 1.696  C19 A1B7C 29 
A1B7C O4  O4  O  0 1 N N N N N N 15.050 10.636 27.458 0.310  -1.099 2.169  O4  A1B7C 30 
A1B7C C20 C20 C  0 1 N N S N N N 17.749 12.017 22.932 -3.478 0.889  1.508  C20 A1B7C 31 
A1B7C O5  O5  O  0 1 N N N N N N 17.445 10.901 22.460 -3.544 0.716  2.925  O5  A1B7C 32 
A1B7C C21 C21 C  0 1 Y N N N N N 18.684 12.866 22.290 -4.774 0.434  0.886  C21 A1B7C 33 
A1B7C N5  N5  N  0 1 Y N N N N N 19.933 12.342 22.259 -5.405 1.084  -0.017 N5  A1B7C 34 
A1B7C C22 C22 C  0 1 Y N N N N N 20.900 13.125 21.595 -6.554 0.558  -0.483 C22 A1B7C 35 
A1B7C C23 C23 C  0 1 Y N N N N N 22.257 12.912 21.371 -7.438 1.054  -1.463 C23 A1B7C 36 
A1B7C C24 C24 C  0 1 Y N N N N N 22.929 13.906 20.669 -8.568 0.350  -1.796 C24 A1B7C 37 
A1B7C CL1 CL1 CL 0 0 N N N N N N 24.625 13.733 20.348 -9.646 0.975  -3.005 CL1 A1B7C 38 
A1B7C C25 C25 C  0 1 Y N N N N N 22.338 15.072 20.216 -8.858 -0.858 -1.174 C25 A1B7C 39 
A1B7C C26 C26 C  0 1 Y N N N N N 20.990 15.281 20.422 -8.009 -1.360 -0.214 C26 A1B7C 40 
A1B7C C27 C27 C  0 1 Y N N N N N 20.268 14.317 21.102 -6.857 -0.660 0.135  C27 A1B7C 41 
A1B7C S1  S1  S  0 1 Y N N N N N 18.572 14.415 21.507 -5.577 -1.015 1.292  S1  A1B7C 42 
A1B7C C28 C28 C  0 1 N N N N N N 19.451 17.930 25.132 2.600  3.536  1.502  C28 A1B7C 43 
A1B7C C29 C29 C  0 1 N N N N N N 19.485 18.795 23.881 2.614  4.889  2.217  C29 A1B7C 44 
A1B7C C30 C30 C  0 1 N N N N N N 18.578 18.519 26.221 3.875  2.703  1.644  C30 A1B7C 45 
A1B7C H1  H1  H  0 1 N N N N N N 20.693 14.882 32.106 5.873  -0.931 -2.983 H1  A1B7C 46 
A1B7C H2  H2  H  0 1 N N N N N N 21.902 13.599 31.757 4.637  -0.947 -4.263 H2  A1B7C 47 
A1B7C H3  H3  H  0 1 N N N N N N 22.129 15.253 31.092 5.199  0.601  -3.588 H3  A1B7C 48 
A1B7C H4  H4  H  0 1 N N N N N N 18.876 11.646 24.689 -2.328 0.119  -0.143 H4  A1B7C 49 
A1B7C H5  H5  H  0 1 N N N N N N 20.798 16.048 29.261 4.564  1.250  -1.254 H5  A1B7C 50 
A1B7C H6  H6  H  0 1 N N N N N N 19.656 16.090 23.838 0.399  3.190  1.960  H6  A1B7C 51 
A1B7C H7  H7  H  0 1 N N N N N N 21.691 16.100 27.125 1.347  2.100  -1.463 H7  A1B7C 52 
A1B7C H8  H8  H  0 1 N N N N N N 20.694 17.491 27.672 3.091  2.478  -1.326 H8  A1B7C 53 
A1B7C H9  H9  H  0 1 N N N N N N 21.611 17.303 24.981 1.394  4.340  -0.261 H9  A1B7C 54 
A1B7C H10 H10 H  0 1 N N N N N N 17.815 15.755 25.994 1.562  0.713  2.051  H10 A1B7C 55 
A1B7C H11 H11 H  0 1 N N N N N N 18.273 15.617 30.779 5.505  -1.129 0.154  H11 A1B7C 56 
A1B7C H12 H12 H  0 1 N N N N N N 18.857 13.428 31.189 2.848  1.216  -3.086 H12 A1B7C 57 
A1B7C H13 H13 H  0 1 N N N N N N 19.017 12.718 29.547 2.258  -0.343 -3.711 H13 A1B7C 58 
A1B7C H14 H14 H  0 1 N N N N N N 20.073 12.142 30.881 1.844  0.167  -2.056 H14 A1B7C 59 
A1B7C H15 H15 H  0 1 N N N N N N 17.125 14.043 24.777 -0.949 0.754  2.406  H15 A1B7C 60 
A1B7C H16 H16 H  0 1 N N N N N N 22.057 12.620 29.462 2.779  -2.014 -1.219 H16 A1B7C 61 
A1B7C H17 H17 H  0 1 N N N N N N 21.068 13.311 28.132 3.224  -2.474 -2.880 H17 A1B7C 62 
A1B7C H18 H18 H  0 1 N N N N N N 22.376 14.289 28.879 4.460  -2.458 -1.600 H18 A1B7C 63 
A1B7C H19 H19 H  0 1 N N N N N N 15.872 11.766 25.165 -2.479 -1.464 2.463  H19 A1B7C 64 
A1B7C H20 H20 H  0 1 N N N N N N 16.757 10.265 24.726 -3.436 -1.786 0.998  H20 A1B7C 65 
A1B7C H21 H21 H  0 1 N N N N N N 17.391 12.101 27.070 -1.101 -1.913 -0.208 H21 A1B7C 66 
A1B7C H22 H22 H  0 1 N N N N N N 18.863 9.682  26.139 -2.432 -3.953 1.602  H22 A1B7C 67 
A1B7C H23 H23 H  0 1 N N N N N N 19.406 11.070 27.142 -2.050 -4.069 -0.149 H23 A1B7C 68 
A1B7C H24 H24 H  0 1 N N N N N N 18.741 8.547  28.151 -0.476 -5.254 1.804  H24 A1B7C 69 
A1B7C H25 H25 H  0 1 N N N N N N 18.712 10.066 29.109 0.190  -4.662 0.253  H25 A1B7C 70 
A1B7C H26 H26 H  0 1 N N N N N N 16.354 8.843  28.845 1.206  -3.518 2.428  H26 A1B7C 71 
A1B7C H27 H27 H  0 1 N N N N N N 22.760 12.024 21.723 -7.225 1.992  -1.954 H27 A1B7C 72 
A1B7C H28 H28 H  0 1 N N N N N N 22.930 15.816 19.703 -9.751 -1.403 -1.444 H28 A1B7C 73 
A1B7C H29 H29 H  0 1 N N N N N N 20.509 16.178 20.060 -8.237 -2.299 0.268  H29 A1B7C 74 
A1B7C H30 H30 H  0 1 N N N N N N 19.421 19.856 24.166 2.313  4.755  3.256  H30 A1B7C 75 
A1B7C H31 H31 H  0 1 N N N N N N 20.425 18.617 23.338 3.620  5.308  2.181  H31 A1B7C 76 
A1B7C H32 H32 H  0 1 N N N N N N 18.633 18.538 23.234 1.920  5.569  1.722  H32 A1B7C 77 
A1B7C H33 H33 H  0 1 N N N N N N 18.589 17.856 27.099 3.963  2.026  0.794  H33 A1B7C 78 
A1B7C H34 H34 H  0 1 N N N N N N 18.964 19.509 26.504 4.740  3.365  1.673  H34 A1B7C 79 
A1B7C H35 H35 H  0 1 N N N N N N 17.547 18.619 25.850 3.830  2.124  2.566  H35 A1B7C 80 
A1B7C H36 H36 H  0 1 N Y N N N N 16.820 12.591 22.800 -3.314 1.941  1.278  H36 A1B7C 81 
A1B7C H37 H37 H  0 1 N N N N N N 16.808 10.480 23.025 -3.688 -0.199 3.203  H37 A1B7C 82 
# 
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 
A1B7C C25 C26 DOUB Y N 1  
A1B7C C25 C24 SING Y N 2  
A1B7C CL1 C24 SING N N 3  
A1B7C C26 C27 SING Y N 4  
A1B7C C24 C23 DOUB Y N 5  
A1B7C C27 S1  SING Y N 6  
A1B7C C27 C22 DOUB Y N 7  
A1B7C C23 C22 SING Y N 8  
A1B7C S1  C21 SING Y N 9  
A1B7C C22 N5  SING Y N 10 
A1B7C N5  C21 DOUB Y N 11 
A1B7C C21 C20 SING N N 12 
A1B7C O5  C20 SING N N 13 
A1B7C C20 C14 SING N N 14 
A1B7C C29 C28 SING N N 15 
A1B7C C14 N3  SING N N 16 
A1B7C C14 C15 SING N N 17 
A1B7C C11 C28 SING N N 18 
A1B7C C11 C10 SING N N 19 
A1B7C C11 C12 SING N N 20 
A1B7C N3  C13 SING N N 21 
A1B7C C28 C10 SING N N 22 
A1B7C C28 C30 SING N N 23 
A1B7C C15 C16 SING N N 24 
A1B7C C13 O3  DOUB N N 25 
A1B7C C13 C12 SING N N 26 
A1B7C C10 C9  SING N N 27 
A1B7C C12 N2  SING N N 28 
A1B7C C16 C17 SING N N 29 
A1B7C C16 C19 SING N N 30 
A1B7C C9  N2  SING N N 31 
A1B7C C17 C18 SING N N 32 
A1B7C N2  C8  SING N N 33 
A1B7C O4  C19 DOUB N N 34 
A1B7C C19 N4  SING N N 35 
A1B7C C18 N4  SING N N 36 
A1B7C C8  O2  DOUB N N 37 
A1B7C C8  C5  SING N N 38 
A1B7C C1  C2  SING N N 39 
A1B7C C5  C2  SING N N 40 
A1B7C C5  N1  SING N N 41 
A1B7C C2  C3  SING N N 42 
A1B7C C2  C4  SING N N 43 
A1B7C N1  C6  SING N N 44 
A1B7C O1  C6  DOUB N N 45 
A1B7C C6  C7  SING N N 46 
A1B7C F2  C7  SING N N 47 
A1B7C C7  F3  SING N N 48 
A1B7C C7  F1  SING N N 49 
A1B7C C4  H1  SING N N 50 
A1B7C C4  H2  SING N N 51 
A1B7C C4  H3  SING N N 52 
A1B7C C14 H4  SING N N 53 
A1B7C C5  H5  SING N N 54 
A1B7C C11 H6  SING N N 55 
A1B7C C9  H7  SING N N 56 
A1B7C C9  H8  SING N N 57 
A1B7C C10 H9  SING N N 58 
A1B7C C12 H10 SING N N 59 
A1B7C N1  H11 SING N N 60 
A1B7C C3  H12 SING N N 61 
A1B7C C3  H13 SING N N 62 
A1B7C C3  H14 SING N N 63 
A1B7C N3  H15 SING N N 64 
A1B7C C1  H16 SING N N 65 
A1B7C C1  H17 SING N N 66 
A1B7C C1  H18 SING N N 67 
A1B7C C15 H19 SING N N 68 
A1B7C C15 H20 SING N N 69 
A1B7C C16 H21 SING N N 70 
A1B7C C17 H22 SING N N 71 
A1B7C C17 H23 SING N N 72 
A1B7C C18 H24 SING N N 73 
A1B7C C18 H25 SING N N 74 
A1B7C N4  H26 SING N N 75 
A1B7C C23 H27 SING N N 76 
A1B7C C25 H28 SING N N 77 
A1B7C C26 H29 SING N N 78 
A1B7C C29 H30 SING N N 79 
A1B7C C29 H31 SING N N 80 
A1B7C C29 H32 SING N N 81 
A1B7C C30 H33 SING N N 82 
A1B7C C30 H34 SING N N 83 
A1B7C C30 H35 SING N N 84 
A1B7C C20 H36 SING N N 85 
A1B7C O5  H37 SING N N 86 
# 
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 
A1B7C SMILES           ACDLabs              14.52   "FC(F)(F)C(=O)NC(C(=O)N1CC2C(C1C(=O)NC(CC1CCNC1=O)C(O)c1nc3cc(Cl)ccc3s1)C2(C)C)C(C)(C)C"                                                                                                                                                                                           
A1B7C InChI            InChI                1.06    "InChI=1S/C30H37ClF3N5O5S/c1-28(2,3)22(38-27(44)30(32,33)34)26(43)39-12-15-19(29(15,4)5)20(39)24(42)36-17(10-13-8-9-35-23(13)41)21(40)25-37-16-11-14(31)6-7-18(16)45-25/h6-7,11,13,15,17,19-22,40H,8-10,12H2,1-5H3,(H,35,41)(H,36,42)(H,38,44)/t13-,15-,17-,19-,20-,21-,22+/m0/s1" 
A1B7C InChIKey         InChI                1.06    FKEXGBHYRLJSIN-UDQBHXPNSA-N                                                                                                                                                                                                                                                        
A1B7C SMILES_CANONICAL CACTVS               3.385   "CC(C)(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](C[C@@H]3CCNC3=O)[C@H](O)c4sc5ccc(Cl)cc5n4)C2(C)C"                                                                                                                                                            
A1B7C SMILES           CACTVS               3.385   "CC(C)(C)[CH](NC(=O)C(F)(F)F)C(=O)N1C[CH]2[CH]([CH]1C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)c4sc5ccc(Cl)cc5n4)C2(C)C"                                                                                                                                                                      
A1B7C SMILES_CANONICAL "OpenEye OEToolkits" 3.1.0.0 "CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)C(F)(F)F)C(=O)N[C@@H](C[C@@H]3CCNC3=O)C(c4nc5cc(ccc5s4)Cl)O)C"                                                                                                                                                              
A1B7C SMILES           "OpenEye OEToolkits" 3.1.0.0 "CC1(C2C1C(N(C2)C(=O)C(C(C)(C)C)NC(=O)C(F)(F)F)C(=O)NC(CC3CCNC3=O)C(c4nc5cc(ccc5s4)Cl)O)C"                                                                                                                                                                                         
# 
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 
A1B7C "SYSTEMATIC NAME" ACDLabs              14.52   "(1R,2S,5S)-N-{(1S,2S)-1-(5-chloro-1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide"                                                             
A1B7C "SYSTEMATIC NAME" "OpenEye OEToolkits" 3.1.0.0 "(1~{R},2~{S},5~{S})-~{N}-[(2~{S})-1-(5-chloranyl-1,3-benzothiazol-2-yl)-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-3-[(2~{S})-3,3-dimethyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-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 
A1B7C "Create component" 2025-03-28 RCSB 
A1B7C "Initial release"  2025-06-04 RCSB 
# 
_pdbx_chem_comp_synonyms.ordinal      1 
_pdbx_chem_comp_synonyms.comp_id      A1B7C 
_pdbx_chem_comp_synonyms.name         TKB-277-5Cl 
_pdbx_chem_comp_synonyms.provenance   AUTHOR 
_pdbx_chem_comp_synonyms.type         ? 
# 
_pdbx_chem_comp_pcm.pcm_id                             1 
_pdbx_chem_comp_pcm.comp_id                            A1B7C 
_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               C20 
_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      ? 
# 
