data_A1BMU
# 
_chem_comp.id                                    A1BMU 
_chem_comp.name                                  "(3S)-N-{(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl}-7-fluoro-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 H37 F4 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                     2024-12-23 
_chem_comp.pdbx_modified_date                    2025-11-21 
_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                        691.736 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     A1BMU 
_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        9MLJ 
_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 
A1BMU C10  C1  C 0 1 N N N N N N 9.637  22.224 24.576 -4.768 2.151  -2.373 C10  A1BMU 1  
A1BMU C11  C2  C 0 1 N N N N N N 8.997  23.235 22.347 -4.157 -0.268 -2.244 C11  A1BMU 2  
A1BMU C12  C3  C 0 1 N N N N N N 10.216 24.583 24.051 -2.391 1.446  -2.673 C12  A1BMU 3  
A1BMU C14  C4  C 0 1 N N N N N N 6.016  22.729 25.543 -3.982 3.624  0.070  C14  A1BMU 4  
A1BMU C15  C5  C 0 1 N N N N N N 4.855  21.766 25.354 -3.558 5.036  0.385  C15  A1BMU 5  
A1BMU C21  C6  C 0 1 N N S N N N 6.948  27.650 23.710 -1.679 -1.726 1.149  C21  A1BMU 6  
A1BMU C22  C7  C 0 1 N N N N N N 7.894  27.971 22.516 -0.317 -1.104 0.978  C22  A1BMU 7  
A1BMU N23  N1  N 0 1 N N N N N N 7.212  28.489 21.308 0.589  -1.681 0.163  N23  A1BMU 8  
A1BMU C24  C8  C 0 1 N N S N N N 7.978  28.909 20.123 1.935  -1.115 0.049  C24  A1BMU 9  
A1BMU C27  C9  C 0 1 N N N N N N 7.603  25.843 17.823 3.113  0.498  2.308  C27  A1BMU 10 
A1BMU C30  C10 C 0 1 N N N N N N 10.130 25.237 19.086 5.695  -0.123 3.167  C30  A1BMU 11 
A1BMU C31  C11 C 0 1 N N N N N N 9.551  26.555 19.280 4.866  -1.245 2.531  C31  A1BMU 12 
A1BMU C33  C12 C 0 1 N N S N N N 7.643  30.403 19.976 2.531  -1.486 -1.310 C33  A1BMU 13 
A1BMU C34  C13 C 0 1 Y N N N N N 8.078  31.095 21.286 3.901  -0.874 -1.443 C34  A1BMU 14 
A1BMU C02  C14 C 0 1 Y N N N N N 6.204  28.038 28.676 -5.750 -4.524 0.009  C02  A1BMU 15 
A1BMU C03  C15 C 0 1 Y N N N N N 7.070  27.277 27.921 -5.548 -3.191 0.312  C03  A1BMU 16 
A1BMU C04  C16 C 0 1 Y N N N N N 7.261  27.598 26.563 -4.262 -2.684 0.437  C04  A1BMU 17 
A1BMU C05  C17 C 0 1 N N N N N N 8.190  26.787 25.667 -4.112 -1.224 0.783  C05  A1BMU 18 
A1BMU C07  C18 C 0 1 N N N N N N 7.314  25.223 23.792 -2.383 0.337  0.011  C07  A1BMU 19 
A1BMU C08  C19 C 0 1 N N S N N N 7.862  23.973 24.475 -3.464 1.295  -0.422 C08  A1BMU 20 
A1BMU C09  C20 C 0 1 N N N N N N 9.168  23.484 23.843 -3.695 1.156  -1.928 C09  A1BMU 21 
A1BMU C25  C21 C 0 1 N N N N N N 7.563  28.069 18.926 2.820  -1.677 1.164  C25  A1BMU 22 
A1BMU C26  C22 C 0 1 N N S N N N 8.137  26.653 19.041 3.831  -0.613 1.597  C26  A1BMU 23 
A1BMU C29  C23 C 0 1 N N N N N N 10.013 24.794 17.709 4.793  0.682  4.103  C29  A1BMU 24 
A1BMU C36  C24 C 0 1 Y N N N N N 9.536  31.774 22.960 5.403  0.792  -1.612 C36  A1BMU 25 
A1BMU C37  C25 C 0 1 Y N N N N N 10.766 31.929 23.636 5.928  2.098  -1.694 C37  A1BMU 26 
A1BMU C38  C26 C 0 1 Y N N N N N 10.807 32.606 24.851 7.270  2.295  -1.816 C38  A1BMU 27 
A1BMU C39  C27 C 0 1 Y N N N N N 9.628  33.118 25.407 8.145  1.219  -1.860 C39  A1BMU 28 
A1BMU C40  C28 C 0 1 Y N N N N N 8.408  32.959 24.733 7.661  -0.067 -1.782 C40  A1BMU 29 
A1BMU C41  C29 C 0 1 Y N N N N N 8.363  32.271 23.507 6.291  -0.289 -1.658 C41  A1BMU 30 
A1BMU C45  C30 C 0 1 N N N N N N 6.832  28.953 24.513 -1.754 -3.033 0.361  C45  A1BMU 31 
A1BMU C46  C31 C 0 1 Y N N N N N 6.578  28.647 26.012 -3.178 -3.513 0.255  C46  A1BMU 32 
A1BMU C47  C32 C 0 1 Y N N N N N 5.681  29.428 26.790 -3.383 -4.855 -0.044 C47  A1BMU 33 
A1BMU C48  C33 C 0 1 Y N N N N N 5.505  29.105 28.130 -4.660 -5.360 -0.167 C48  A1BMU 34 
A1BMU F01  F1  F 0 1 N N N N N N 6.042  27.736 29.995 -7.005 -5.010 -0.114 F01  A1BMU 35 
A1BMU F16  F2  F 0 1 N N N N N N 3.954  22.391 24.543 -2.768 5.530  -0.658 F16  A1BMU 36 
A1BMU F17  F3  F 0 1 N N N N N N 4.300  21.476 26.556 -4.693 5.841  0.533  F17  A1BMU 37 
A1BMU F18  F4  F 0 1 N N N N N N 5.299  20.631 24.756 -2.820 5.047  1.574  F18  A1BMU 38 
A1BMU N06  N2  N 0 1 N N N N N N 7.493  26.537 24.439 -2.712 -0.819 0.620  N06  A1BMU 39 
A1BMU N13  N3  N 0 1 N N N N N N 6.775  23.058 24.369 -3.052 2.667  -0.115 N13  A1BMU 40 
A1BMU N28  N4  N 0 1 N N N N N N 8.587  24.904 17.164 3.570  1.079  3.418  N28  A1BMU 41 
A1BMU N35  N5  N 0 1 Y N N N N N 9.397  31.081 21.689 4.125  0.385  -1.494 N35  A1BMU 42 
A1BMU O19  O1  O 0 1 N N N N N N 6.294  23.194 26.605 -5.160 3.350  -0.017 O19  A1BMU 43 
A1BMU O20  O2  O 0 1 N N N N N N 6.706  25.206 22.747 -1.218 0.607  -0.190 O20  A1BMU 44 
A1BMU O32  O3  O 0 1 N N N N N N 6.500  25.936 17.419 2.063  0.891  1.845  O32  A1BMU 45 
A1BMU O43  O4  O 0 1 N N N N N N 8.397  30.931 18.942 2.632  -2.908 -1.414 O43  A1BMU 46 
A1BMU O44  O5  O 0 1 N N N N N N 9.081  27.825 22.570 -0.037 -0.085 1.572  O44  A1BMU 47 
A1BMU S42  S1  S 0 1 Y N N N N N 7.131  31.889 22.432 5.349  -1.771 -1.536 S42  A1BMU 48 
A1BMU H101 H1  H 0 0 N N N N N N 9.748  22.443 25.648 -5.698 1.945  -1.842 H101 A1BMU 49 
A1BMU H103 H2  H 0 0 N N N N N N 8.895  21.423 24.440 -4.439 3.166  -2.148 H103 A1BMU 50 
A1BMU H102 H3  H 0 0 N N N N N N 10.605 21.900 24.166 -4.933 2.053  -3.446 H102 A1BMU 51 
A1BMU H111 H4  H 0 0 N N N N N N 8.246  22.447 22.189 -3.361 -0.971 -2.000 H111 A1BMU 52 
A1BMU H113 H5  H 0 0 N N N N N N 8.664  24.162 21.857 -5.042 -0.502 -1.652 H113 A1BMU 53 
A1BMU H112 H6  H 0 0 N N N N N N 9.958  22.917 21.916 -4.398 -0.345 -3.304 H112 A1BMU 54 
A1BMU H123 H7  H 0 0 N N N N N N 10.345 24.768 25.128 -2.555 1.347  -3.746 H123 A1BMU 55 
A1BMU H122 H8  H 0 0 N N N N N N 11.174 24.262 23.617 -2.061 2.460  -2.448 H122 A1BMU 56 
A1BMU H121 H9  H 0 0 N N N N N N 9.881  25.507 23.558 -1.626 0.737  -2.356 H121 A1BMU 57 
A1BMU H211 H10 H 0 0 N N N N N N 5.957  27.391 23.310 -1.866 -1.921 2.205  H211 A1BMU 58 
A1BMU H231 H11 H 0 0 N N N N N N 6.214  28.555 21.297 0.349  -2.470 -0.347 H231 A1BMU 59 
A1BMU H241 H12 H 0 0 N N N N N N 9.057  28.791 20.303 1.883  -0.030 0.139  H241 A1BMU 60 
A1BMU H302 H13 H 0 0 N N N N N N 9.608  24.520 19.736 6.520  -0.554 3.734  H302 A1BMU 61 
A1BMU H301 H14 H 0 0 N N N N N N 11.195 25.272 19.359 6.089  0.528  2.386  H301 A1BMU 62 
A1BMU H311 H15 H 0 0 N N N N N N 10.059 27.252 18.597 5.519  -1.906 1.961  H311 A1BMU 63 
A1BMU H312 H16 H 0 0 N N N N N N 9.740  26.858 20.320 4.359  -1.814 3.311  H312 A1BMU 64 
A1BMU H1   H17 H 0 1 N N N N N N 6.562  30.536 19.820 1.886  -1.110 -2.104 H1   A1BMU 65 
A1BMU H031 H18 H 0 0 N N N N N N 7.596  26.445 28.365 -6.397 -2.538 0.451  H031 A1BMU 66 
A1BMU H051 H19 H 0 0 N N N N N N 8.445  25.835 26.155 -4.741 -0.628 0.122  H051 A1BMU 67 
A1BMU H052 H20 H 0 0 N N N N N N 9.110  27.355 25.468 -4.417 -1.063 1.817  H052 A1BMU 68 
A1BMU H081 H21 H 0 0 N N N N N N 8.053  24.207 25.533 -4.387 1.065  0.110  H081 A1BMU 69 
A1BMU H252 H22 H 0 0 N N N N N N 7.940  28.539 18.006 2.200  -1.956 2.015  H252 A1BMU 70 
A1BMU H251 H23 H 0 0 N N N N N N 6.465  28.013 18.886 3.352  -2.555 0.798  H251 A1BMU 71 
A1BMU H261 H24 H 0 0 N N N N N N 7.643  26.210 19.918 4.336  -0.213 0.717  H261 A1BMU 72 
A1BMU H292 H25 H 0 0 N N N N N N 10.330 23.742 17.651 4.538  0.072  4.970  H292 A1BMU 73 
A1BMU H291 H26 H 0 0 N N N N N N 10.675 25.412 17.085 5.323  1.575  4.435  H291 A1BMU 74 
A1BMU H371 H27 H 0 0 N N N N N N 11.672 31.523 23.211 5.262  2.947  -1.661 H371 A1BMU 75 
A1BMU H381 H28 H 0 0 N N N N N N 11.748 32.737 25.365 7.658  3.301  -1.878 H381 A1BMU 76 
A1BMU H391 H29 H 0 0 N N N N N N 9.658  33.635 26.355 9.207  1.391  -1.957 H391 A1BMU 77 
A1BMU H401 H30 H 0 0 N N N N N N 7.501  33.366 25.156 8.343  -0.904 -1.816 H401 A1BMU 78 
A1BMU H451 H31 H 0 0 N N N N N N 7.767  29.524 24.414 -1.355 -2.871 -0.640 H451 A1BMU 79 
A1BMU H452 H32 H 0 0 N N N N N N 5.995  29.548 24.118 -1.156 -3.791 0.867  H452 A1BMU 80 
A1BMU H471 H33 H 0 0 N N N N N N 5.147  30.256 26.348 -2.534 -5.509 -0.182 H471 A1BMU 81 
A1BMU H481 H34 H 0 0 N N N N N N 4.828  29.681 28.743 -4.810 -6.404 -0.399 H481 A1BMU 82 
A1BMU H131 H35 H 0 0 N N N N N N 6.543  22.649 23.486 -2.109 2.886  -0.046 H131 A1BMU 83 
A1BMU H281 H36 H 0 0 N N N N N N 8.307  24.357 16.375 3.056  1.812  3.792  H281 A1BMU 84 
A1BMU H431 H37 H 0 0 N N N N N N 8.197  31.854 18.843 3.193  -3.312 -0.737 H431 A1BMU 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 
A1BMU N28 C29  SING N N 1  
A1BMU N28 C27  SING N N 2  
A1BMU O32 C27  DOUB N N 3  
A1BMU C29 C30  SING N N 4  
A1BMU C27 C26  SING N N 5  
A1BMU C25 C26  SING N N 6  
A1BMU C25 C24  SING N N 7  
A1BMU O43 C33  SING N N 8  
A1BMU C26 C31  SING N N 9  
A1BMU C30 C31  SING N N 10 
A1BMU C33 C24  SING N N 11 
A1BMU C33 C34  SING N N 12 
A1BMU C24 N23  SING N N 13 
A1BMU C34 N35  DOUB Y N 14 
A1BMU C34 S42  SING Y N 15 
A1BMU N23 C22  SING N N 16 
A1BMU N35 C36  SING Y N 17 
A1BMU C11 C09  SING N N 18 
A1BMU S42 C41  SING Y N 19 
A1BMU C22 O44  DOUB N N 20 
A1BMU C22 C21  SING N N 21 
A1BMU O20 C07  DOUB N N 22 
A1BMU C36 C41  DOUB Y N 23 
A1BMU C36 C37  SING Y N 24 
A1BMU C41 C40  SING Y N 25 
A1BMU C37 C38  DOUB Y N 26 
A1BMU C21 N06  SING N N 27 
A1BMU C21 C45  SING N N 28 
A1BMU C07 N06  SING N N 29 
A1BMU C07 C08  SING N N 30 
A1BMU C09 C12  SING N N 31 
A1BMU C09 C08  SING N N 32 
A1BMU C09 C10  SING N N 33 
A1BMU N13 C08  SING N N 34 
A1BMU N13 C14  SING N N 35 
A1BMU N06 C05  SING N N 36 
A1BMU C45 C46  SING N N 37 
A1BMU F16 C15  SING N N 38 
A1BMU C40 C39  DOUB Y N 39 
A1BMU F18 C15  SING N N 40 
A1BMU C38 C39  SING Y N 41 
A1BMU C15 C14  SING N N 42 
A1BMU C15 F17  SING N N 43 
A1BMU C14 O19  DOUB N N 44 
A1BMU C05 C04  SING N N 45 
A1BMU C46 C04  DOUB Y N 46 
A1BMU C46 C47  SING Y N 47 
A1BMU C04 C03  SING Y N 48 
A1BMU C47 C48  DOUB Y N 49 
A1BMU C03 C02  DOUB Y N 50 
A1BMU C48 C02  SING Y N 51 
A1BMU C02 F01  SING N N 52 
A1BMU C10 H101 SING N N 53 
A1BMU C10 H103 SING N N 54 
A1BMU C10 H102 SING N N 55 
A1BMU C11 H111 SING N N 56 
A1BMU C11 H113 SING N N 57 
A1BMU C11 H112 SING N N 58 
A1BMU C12 H123 SING N N 59 
A1BMU C12 H122 SING N N 60 
A1BMU C12 H121 SING N N 61 
A1BMU C21 H211 SING N N 62 
A1BMU N23 H231 SING N N 63 
A1BMU C24 H241 SING N N 64 
A1BMU C30 H302 SING N N 65 
A1BMU C30 H301 SING N N 66 
A1BMU C31 H311 SING N N 67 
A1BMU C31 H312 SING N N 68 
A1BMU C33 H1   SING N N 69 
A1BMU C03 H031 SING N N 70 
A1BMU C05 H051 SING N N 71 
A1BMU C05 H052 SING N N 72 
A1BMU C08 H081 SING N N 73 
A1BMU C25 H252 SING N N 74 
A1BMU C25 H251 SING N N 75 
A1BMU C26 H261 SING N N 76 
A1BMU C29 H292 SING N N 77 
A1BMU C29 H291 SING N N 78 
A1BMU C37 H371 SING N N 79 
A1BMU C38 H381 SING N N 80 
A1BMU C39 H391 SING N N 81 
A1BMU C40 H401 SING N N 82 
A1BMU C45 H451 SING N N 83 
A1BMU C45 H452 SING N N 84 
A1BMU C47 H471 SING N N 85 
A1BMU C48 H481 SING N N 86 
A1BMU N13 H131 SING N N 87 
A1BMU N28 H281 SING N N 88 
A1BMU O43 H431 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 
A1BMU SMILES           ACDLabs              14.52   "FC(F)(F)C(=O)NC(C(=O)N1Cc2cc(F)ccc2CC1C(=O)NC(CC1CCCNC1=O)C(O)c1nc2ccccc2s1)C(C)(C)C"                                                                                                                                                                                                      
A1BMU InChI            InChI                1.06    "InChI=1S/C33H37F4N5O5S/c1-32(2,3)26(41-31(47)33(35,36)37)30(46)42-16-19-13-20(34)11-10-17(19)15-23(42)28(45)39-22(14-18-7-6-12-38-27(18)44)25(43)29-40-21-8-4-5-9-24(21)48-29/h4-5,8-11,13,18,22-23,25-26,43H,6-7,12,14-16H2,1-3H3,(H,38,44)(H,39,45)(H,41,47)/t18-,22-,23-,25-,26+/m0/s1" 
A1BMU InChIKey         InChI                1.06    OPEOCXRIOYYAID-OKGCJIDBSA-N                                                                                                                                                                                                                                                                 
A1BMU SMILES_CANONICAL CACTVS               3.385   "CC(C)(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1Cc2cc(F)ccc2C[C@H]1C(=O)N[C@@H](C[C@@H]3CCCNC3=O)[C@H](O)c4sc5ccccc5n4"                                                                                                                                                                                
A1BMU SMILES           CACTVS               3.385   "CC(C)(C)[CH](NC(=O)C(F)(F)F)C(=O)N1Cc2cc(F)ccc2C[CH]1C(=O)N[CH](C[CH]3CCCNC3=O)[CH](O)c4sc5ccccc5n4"                                                                                                                                                                                       
A1BMU SMILES_CANONICAL "OpenEye OEToolkits" 3.1.0.0 "CC(C)(C)[C@@H](C(=O)N1Cc2cc(ccc2C[C@H]1C(=O)N[C@@H](C[C@@H]3CCCNC3=O)[C@@H](c4nc5ccccc5s4)O)F)NC(=O)C(F)(F)F"                                                                                                                                                                              
A1BMU SMILES           "OpenEye OEToolkits" 3.1.0.0 "CC(C)(C)C(C(=O)N1Cc2cc(ccc2CC1C(=O)NC(CC3CCCNC3=O)C(c4nc5ccccc5s4)O)F)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 
A1BMU "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}-7-fluoro-2-[3-methyl-N-(trifluoroacetyl)-L-valyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide"                                                             
A1BMU "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]-7-fluoranyl-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 
A1BMU "Create component" 2024-12-23 RCSB 
A1BMU "Modify PCM"       2024-12-23 RCSB 
A1BMU "Initial release"  2025-11-26 RCSB 
# 
_pdbx_chem_comp_pcm.pcm_id                             1 
_pdbx_chem_comp_pcm.comp_id                            A1BMU 
_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               C33 
_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      ? 
# 
