data_A1B7B
# 
_chem_comp.id                                    A1B7B 
_chem_comp.name                                  "(1R,2S,5S)-N-{(1S,2S)-1-(5-bromo-1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-D-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide" 
_chem_comp.type                                  non-polymer 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C30 H37 Br F3 N5 O5 S" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         TKB-276-5Br 
_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                        716.609 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     A1B7B 
_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        9NWC 
_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 
A1B7B C4  C1  C  0 1 N N N N N N 17.799 4.655  -0.093 6.318  -0.678 -2.674 C4  A1B7B 1  
A1B7B C14 C2  C  0 1 N N S N N N 16.032 -1.360 1.028  -1.201 -1.979 0.273  C14 A1B7B 2  
A1B7B C5  C3  C  0 1 N N R N N N 17.517 3.821  -2.305 5.167  0.588  -0.853 C5  A1B7B 3  
A1B7B C6  C4  C  0 1 N N N N N N 17.714 5.165  -4.420 5.247  2.914  -0.132 C6  A1B7B 4  
A1B7B C11 C5  C  0 1 N N R N N N 17.638 -0.995 -3.260 2.779  -1.782 2.453  C11 A1B7B 5  
A1B7B C7  C6  C  0 1 N N N N N N 16.397 5.844  -4.880 4.570  4.212  0.226  C7  A1B7B 6  
A1B7B C8  C7  C  0 1 N N N N N N 17.098 2.376  -2.085 4.209  -0.555 -0.636 C8  A1B7B 7  
A1B7B C9  C8  C  0 1 N N N N N N 18.954 1.061  -3.440 3.354  0.420  1.550  C9  A1B7B 8  
A1B7B C10 C9  C  0 1 N N S N N N 18.843 -0.371 -3.933 3.303  -0.390 2.863  C10 A1B7B 9  
A1B7B C12 C10 C  0 1 N N S N N N 16.993 0.068  -2.379 2.559  -1.691 0.928  C12 A1B7B 10 
A1B7B C13 C11 C  0 1 N N N N N N 17.146 -0.349 -0.925 1.125  -1.342 0.623  C13 A1B7B 11 
A1B7B N1  N1  N  0 1 N N N N N N 17.662 4.028  -3.748 4.509  1.850  -0.506 N1  A1B7B 12 
A1B7B N2  N2  N  0 1 N N N N N N 17.724 1.307  -2.650 3.461  -0.603 0.484  N2  A1B7B 13 
A1B7B C3  C12 C  0 1 N N N N N N 19.515 3.045  -0.772 6.535  1.808  -2.552 C3  A1B7B 14 
A1B7B N3  N3  N  0 1 N N N N N N 16.073 -0.920 -0.356 0.176  -2.298 0.658  N3  A1B7B 15 
A1B7B C1  C13 C  0 1 N N N N N N 19.556 5.339  -1.723 4.357  0.775  -3.209 C1  A1B7B 16 
A1B7B C2  C14 C  0 1 N N N N N N 18.639 4.195  -1.297 5.594  0.623  -2.322 C2  A1B7B 17 
A1B7B O1  O1  O  0 1 N N N N N N 18.745 5.658  -4.815 6.456  2.827  -0.083 O1  A1B7B 18 
A1B7B F1  F1  F  0 1 N N N N N N 16.368 7.094  -4.484 3.704  4.004  1.306  F1  A1B7B 19 
A1B7B F2  F2  F  0 1 N N N N N N 15.175 5.430  -4.569 5.536  5.160  0.579  F2  A1B7B 20 
A1B7B F3  F3  F  0 1 N N N N N N 16.388 5.846  -6.204 3.841  4.676  -0.874 F3  A1B7B 21 
A1B7B O2  O2  O  0 1 N N N N N N 16.174 2.228  -1.350 4.112  -1.431 -1.469 O2  A1B7B 22 
A1B7B O3  O3  O  0 1 N N N N N N 18.255 -0.249 -0.398 0.825  -0.199 0.348  O3  A1B7B 23 
A1B7B C15 C15 C  0 1 N N N N N N 14.992 -0.526 1.785  -1.906 -3.251 -0.202 C15 A1B7B 24 
A1B7B C16 C16 C  0 1 N N S N N N 15.426 0.930  1.934  -1.551 -3.514 -1.667 C16 A1B7B 25 
A1B7B C17 C17 C  0 1 N N N N N N 16.682 1.283  2.729  -2.149 -4.861 -2.135 C17 A1B7B 26 
A1B7B C18 C18 C  0 1 N N N N N N 16.355 2.628  3.362  -0.971 -5.830 -1.892 C18 A1B7B 27 
A1B7B N4  N4  N  0 1 N N N N N N 14.908 2.573  3.480  0.238  -5.000 -1.955 N4  A1B7B 28 
A1B7B C19 C19 C  0 1 N N N N N N 14.336 1.737  2.636  -0.058 -3.695 -1.826 C19 A1B7B 29 
A1B7B O4  O4  O  0 1 N N N N N N 13.143 1.626  2.446  0.754  -2.795 -1.837 O4  A1B7B 30 
A1B7B C20 C20 C  0 1 N N S N N N 15.912 -2.886 1.112  -1.947 -1.402 1.477  C20 A1B7B 31 
A1B7B O5  O5  O  0 1 N N N N N N 15.546 -3.381 2.164  -2.060 -2.403 2.491  O5  A1B7B 32 
A1B7B C21 C21 C  0 1 Y N N N N N 16.861 -3.572 0.363  -3.323 -0.960 1.052  C21 A1B7B 33 
A1B7B N5  N5  N  0 1 Y N N N N N 18.057 -3.661 0.907  -3.668 0.261  0.886  N5  A1B7B 34 
A1B7B C22 C22 C  0 1 Y N N N N N 18.976 -4.390 0.089  -4.934 0.511  0.503  C22 A1B7B 35 
A1B7B C23 C23 C  0 1 Y N N N N N 20.306 -4.682 0.347  -5.571 1.743  0.251  C23 A1B7B 36 
A1B7B C24 C24 C  0 1 Y N N N N N 20.985 -5.424 -0.602 -6.887 1.775  -0.136 C24 A1B7B 37 
A1B7B BR1 BR1 BR 0 0 N N N N N N 22.823 -5.794 -0.304 -7.725 3.437  -0.470 BR1 A1B7B 38 
A1B7B C25 C25 C  0 1 Y N N N N N 20.433 -5.877 -1.777 -7.610 0.599  -0.285 C25 A1B7B 39 
A1B7B C26 C26 C  0 1 Y N N N N N 19.117 -5.572 -2.054 -7.008 -0.615 -0.044 C26 A1B7B 40 
A1B7B C27 C27 C  0 1 Y N N N N N 18.413 -4.851 -1.102 -5.673 -0.668 0.349  C27 A1B7B 41 
A1B7B S1  S1  S  0 1 Y N N N N N 16.769 -4.366 -1.186 -4.615 -2.025 0.723  S1  A1B7B 42 
A1B7B C28 C28 C  0 1 N N N N N N 17.645 -0.809 -4.763 4.209  -1.668 2.983  C28 A1B7B 43 
A1B7B C29 C29 C  0 1 N N N N N N 16.824 0.258  -5.443 5.347  -1.823 1.972  C29 A1B7B 44 
A1B7B C30 C30 C  0 1 N N N N N N 17.695 -2.069 -5.602 4.502  -2.195 4.390  C30 A1B7B 45 
A1B7B H1  H1  H  0 1 N N N N N N 18.467 4.960  0.726  5.606  -1.503 -2.668 H1  A1B7B 46 
A1B7B H2  H2  H  0 1 N N N N N N 17.169 5.507  -0.389 6.763  -0.590 -3.666 H2  A1B7B 47 
A1B7B H3  H3  H  0 1 N N N N N N 17.159 3.827  0.245  7.101  -0.868 -1.941 H3  A1B7B 48 
A1B7B H4  H4  H  0 1 N N N N N N 17.006 -1.107 1.473  -1.191 -1.246 -0.534 H4  A1B7B 49 
A1B7B H5  H5  H  0 1 N N N N N N 16.649 4.424  -2.000 6.046  0.451  -0.223 H5  A1B7B 50 
A1B7B H6  H6  H  0 1 N N N N N N 17.733 -2.015 -2.859 2.028  -2.310 3.041  H6  A1B7B 51 
A1B7B H7  H7  H  0 1 N N N N N N 19.847 1.182  -2.808 2.441  1.002  1.427  H7  A1B7B 52 
A1B7B H8  H8  H  0 1 N N N N N N 19.010 1.757  -4.290 4.225  1.074  1.538  H8  A1B7B 53 
A1B7B H9  H9  H  0 1 N N N N N N 19.765 -0.967 -4.002 2.943  0.119  3.757  H9  A1B7B 54 
A1B7B H10 H10 H  0 1 N N N N N N 15.928 0.175  -2.633 2.830  -2.632 0.448  H10 A1B7B 55 
A1B7B H11 H11 H  0 1 N N N N N N 17.731 3.197  -4.299 3.543  1.919  -0.545 H11 A1B7B 56 
A1B7B H12 H12 H  0 1 N N N N N N 20.264 3.444  -0.072 7.416  1.700  -1.920 H12 A1B7B 57 
A1B7B H13 H13 H  0 1 N N N N N N 18.882 2.310  -0.252 6.839  1.833  -3.598 H13 A1B7B 58 
A1B7B H14 H14 H  0 1 N N N N N N 20.025 2.558  -1.616 6.019  2.735  -2.301 H14 A1B7B 59 
A1B7B H15 H15 H  0 1 N N N N N N 15.255 -1.050 -0.917 0.405  -3.199 0.938  H15 A1B7B 60 
A1B7B H16 H16 H  0 1 N N N N N N 20.308 5.518  -0.940 3.864  1.721  -2.986 H16 A1B7B 61 
A1B7B H17 H17 H  0 1 N N N N N N 20.062 5.073  -2.663 4.657  0.760  -4.257 H17 A1B7B 62 
A1B7B H18 H18 H  0 1 N N N N N N 18.959 6.251  -1.873 3.669  -0.048 -3.017 H18 A1B7B 63 
A1B7B H19 H19 H  0 1 N N N N N N 14.041 -0.559 1.233  -1.582 -4.095 0.407  H19 A1B7B 64 
A1B7B H20 H20 H  0 1 N N N N N N 14.850 -0.959 2.786  -2.984 -3.126 -0.106 H20 A1B7B 65 
A1B7B H21 H21 H  0 1 N N N N N N 15.546 1.345  0.923  -1.906 -2.698 -2.297 H21 A1B7B 66 
A1B7B H22 H22 H  0 1 N N N N N N 16.881 0.526  3.502  -3.012 -5.136 -1.529 H22 A1B7B 67 
A1B7B H23 H23 H  0 1 N N N N N N 17.554 1.366  2.064  -2.412 -4.825 -3.193 H23 A1B7B 68 
A1B7B H24 H24 H  0 1 N N N N N N 16.831 2.730  4.348  -1.060 -6.292 -0.909 H24 A1B7B 69 
A1B7B H25 H25 H  0 1 N N N N N N 16.670 3.460  2.715  -0.945 -6.595 -2.668 H25 A1B7B 70 
A1B7B H26 H26 H  0 1 N N N N N N 14.393 3.119  4.141  1.135  -5.348 -2.075 H26 A1B7B 71 
A1B7B H27 H27 H  0 1 N N N N N N 20.791 -4.344 1.251  -5.021 2.665  0.363  H27 A1B7B 72 
A1B7B H28 H28 H  0 1 N N N N N N 21.020 -6.461 -2.471 -8.645 0.636  -0.590 H28 A1B7B 73 
A1B7B H29 H29 H  0 1 N N N N N N 18.652 -5.883 -2.978 -7.572 -1.529 -0.160 H29 A1B7B 74 
A1B7B H30 H30 H  0 1 N N N N N N 16.803 1.161  -4.815 6.245  -2.169 2.485  H30 A1B7B 75 
A1B7B H31 H31 H  0 1 N N N N N N 17.272 0.500  -6.418 5.061  -2.549 1.211  H31 A1B7B 76 
A1B7B H32 H32 H  0 1 N N N N N N 15.798 -0.109 -5.592 5.547  -0.861 1.500  H32 A1B7B 77 
A1B7B H33 H33 H  0 1 N N N N N N 18.298 -2.830 -5.086 3.886  -1.661 5.113  H33 A1B7B 78 
A1B7B H34 H34 H  0 1 N N N N N N 16.674 -2.450 -5.752 4.272  -3.260 4.433  H34 A1B7B 79 
A1B7B H35 H35 H  0 1 N N N N N N 18.149 -1.842 -6.578 5.555  -2.041 4.624  H35 A1B7B 80 
A1B7B H36 H36 H  0 1 N Y N N N N 15.024 -3.028 0.479  -1.396 -0.548 1.871  H36 A1B7B 81 
A1B7B H37 H37 H  0 1 N N N N N N 14.901 -2.816 2.573  -2.540 -3.194 2.211  H37 A1B7B 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 
A1B7B F3  C7  SING N N 1  
A1B7B C30 C28 SING N N 2  
A1B7B C29 C28 SING N N 3  
A1B7B C7  F2  SING N N 4  
A1B7B C7  F1  SING N N 5  
A1B7B C7  C6  SING N N 6  
A1B7B O1  C6  DOUB N N 7  
A1B7B C28 C10 SING N N 8  
A1B7B C28 C11 SING N N 9  
A1B7B C6  N1  SING N N 10 
A1B7B C10 C9  SING N N 11 
A1B7B C10 C11 SING N N 12 
A1B7B N1  C5  SING N N 13 
A1B7B C9  N2  SING N N 14 
A1B7B C11 C12 SING N N 15 
A1B7B N2  C12 SING N N 16 
A1B7B N2  C8  SING N N 17 
A1B7B C12 C13 SING N N 18 
A1B7B C5  C8  SING N N 19 
A1B7B C5  C2  SING N N 20 
A1B7B C8  O2  DOUB N N 21 
A1B7B C26 C25 DOUB Y N 22 
A1B7B C26 C27 SING Y N 23 
A1B7B C25 C24 SING Y N 24 
A1B7B C1  C2  SING N N 25 
A1B7B C2  C3  SING N N 26 
A1B7B C2  C4  SING N N 27 
A1B7B S1  C27 SING Y N 28 
A1B7B S1  C21 SING Y N 29 
A1B7B C27 C22 DOUB Y N 30 
A1B7B C13 O3  DOUB N N 31 
A1B7B C13 N3  SING N N 32 
A1B7B C24 BR1 SING N N 33 
A1B7B C24 C23 DOUB Y N 34 
A1B7B N3  C14 SING N N 35 
A1B7B C22 C23 SING Y N 36 
A1B7B C22 N5  SING Y N 37 
A1B7B C21 N5  DOUB Y N 38 
A1B7B C21 C20 SING N N 39 
A1B7B C14 C20 SING N N 40 
A1B7B C14 C15 SING N N 41 
A1B7B C20 O5  SING N N 42 
A1B7B C15 C16 SING N N 43 
A1B7B C16 C19 SING N N 44 
A1B7B C16 C17 SING N N 45 
A1B7B O4  C19 DOUB N N 46 
A1B7B C19 N4  SING N N 47 
A1B7B C17 C18 SING N N 48 
A1B7B C18 N4  SING N N 49 
A1B7B C4  H1  SING N N 50 
A1B7B C4  H2  SING N N 51 
A1B7B C4  H3  SING N N 52 
A1B7B C14 H4  SING N N 53 
A1B7B C5  H5  SING N N 54 
A1B7B C11 H6  SING N N 55 
A1B7B C9  H7  SING N N 56 
A1B7B C9  H8  SING N N 57 
A1B7B C10 H9  SING N N 58 
A1B7B C12 H10 SING N N 59 
A1B7B N1  H11 SING N N 60 
A1B7B C3  H12 SING N N 61 
A1B7B C3  H13 SING N N 62 
A1B7B C3  H14 SING N N 63 
A1B7B N3  H15 SING N N 64 
A1B7B C1  H16 SING N N 65 
A1B7B C1  H17 SING N N 66 
A1B7B C1  H18 SING N N 67 
A1B7B C15 H19 SING N N 68 
A1B7B C15 H20 SING N N 69 
A1B7B C16 H21 SING N N 70 
A1B7B C17 H22 SING N N 71 
A1B7B C17 H23 SING N N 72 
A1B7B C18 H24 SING N N 73 
A1B7B C18 H25 SING N N 74 
A1B7B N4  H26 SING N N 75 
A1B7B C23 H27 SING N N 76 
A1B7B C25 H28 SING N N 77 
A1B7B C26 H29 SING N N 78 
A1B7B C29 H30 SING N N 79 
A1B7B C29 H31 SING N N 80 
A1B7B C29 H32 SING N N 81 
A1B7B C30 H33 SING N N 82 
A1B7B C30 H34 SING N N 83 
A1B7B C30 H35 SING N N 84 
A1B7B C20 H36 SING N N 85 
A1B7B 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 
A1B7B SMILES           ACDLabs              14.52   "FC(F)(F)C(=O)NC(C(=O)N1CC2C(C1C(=O)NC(CC1CCNC1=O)C(O)c1nc3cc(Br)ccc3s1)C2(C)C)C(C)(C)C"                                                                                                                                                                                           
A1B7B InChI            InChI                1.06    "InChI=1S/C30H37BrF3N5O5S/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" 
A1B7B InChIKey         InChI                1.06    BTXSNAHBFHGNCS-GOHKFJIPSA-N                                                                                                                                                                                                                                                        
A1B7B 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(Br)cc5n4)C2(C)C"                                                                                                                                                           
A1B7B 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(Br)cc5n4)C2(C)C"                                                                                                                                                                      
A1B7B 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)Br)O)C"                                                                                                                                                             
A1B7B 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)Br)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 
A1B7B "SYSTEMATIC NAME" ACDLabs              14.52   "(1R,2S,5S)-N-{(1S,2S)-1-(5-bromo-1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-D-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide"                                                             
A1B7B "SYSTEMATIC NAME" "OpenEye OEToolkits" 3.1.0.0 "(1~{R},2~{S},5~{S})-~{N}-[(2~{S})-1-(5-bromanyl-1,3-benzothiazol-2-yl)-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-3-[(2~{R})-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 
A1B7B "Create component" 2025-03-28 RCSB 
A1B7B "Initial release"  2025-06-04 RCSB 
# 
_pdbx_chem_comp_synonyms.ordinal      1 
_pdbx_chem_comp_synonyms.comp_id      A1B7B 
_pdbx_chem_comp_synonyms.name         TKB-276-5Br 
_pdbx_chem_comp_synonyms.provenance   AUTHOR 
_pdbx_chem_comp_synonyms.type         ? 
# 
_pdbx_chem_comp_pcm.pcm_id                             1 
_pdbx_chem_comp_pcm.comp_id                            A1B7B 
_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      ? 
# 
