data_A1AGK
# 
_chem_comp.id                                    A1AGK 
_chem_comp.name                                  "(1R,2S)-2-{[N-({[(2S)-1-(2-cyclohexylethyl)-5-oxopyrrolidin-2-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid" 
_chem_comp.type                                  non-polymer 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C27 H46 N4 O9 S" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2024-02-29 
_chem_comp.pdbx_modified_date                    2024-09-27 
_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                        602.741 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     A1AGK 
_chem_comp.pdbx_model_coordinates_details        ? 
_chem_comp.pdbx_model_coordinates_missing_flag   Y 
_chem_comp.pdbx_ideal_coordinates_details        Corina 
_chem_comp.pdbx_ideal_coordinates_missing_flag   N 
_chem_comp.pdbx_model_coordinates_db_code        9AT3 
_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 
A1AGK C18 C1  C 0 1 N N N N N N 15.044 21.644 26.267 2.031  3.458  -3.127 C18 A1AGK 1  
A1AGK C27 C2  C 0 1 N N R N N N 9.368  18.379 28.263 4.826  0.144  2.118  C27 A1AGK 2  
A1AGK C26 C3  C 0 1 N N N N N N 6.838  21.861 26.987 5.084  -4.402 0.006  C26 A1AGK 3  
A1AGK C23 C4  C 0 1 N N S N N N 7.620  21.026 25.979 4.149  -3.240 0.417  C23 A1AGK 4  
A1AGK C12 C5  C 0 1 N N N N N N 9.871  28.515 23.582 -5.289 2.371  1.538  C12 A1AGK 5  
A1AGK C11 C6  C 0 1 N N N N N N 12.041 29.962 27.934 -6.460 -2.326 1.226  C11 A1AGK 6  
A1AGK C10 C7  C 0 1 N N N N N N 11.567 31.371 28.282 -6.562 -3.850 1.147  C10 A1AGK 7  
A1AGK C13 C8  C 0 1 N N N N N N 8.413  28.182 23.483 -5.068 3.842  1.263  C13 A1AGK 8  
A1AGK C14 C9  C 0 1 N N N N N N 8.085  27.529 24.824 -4.210 3.862  -0.023 C14 A1AGK 9  
A1AGK C7  C10 C 0 1 N N N N N N 12.322 30.638 25.550 -7.967 -2.121 -0.756 C7  A1AGK 10 
A1AGK C2  C11 C 0 1 N N N N N N 9.588  25.500 25.160 -3.356 1.906  -1.367 C2  A1AGK 11 
A1AGK C21 C12 C 0 1 N N S N N N 9.080  19.736 27.647 4.014  -0.978 1.469  C21 A1AGK 12 
A1AGK C3  C13 C 0 1 N N S N N N 9.431  27.003 25.332 -4.577 2.508  -0.669 C3  A1AGK 13 
A1AGK C4  C14 C 0 1 N N N N N N 11.829 27.674 24.771 -5.099 0.187  0.366  C4  A1AGK 14 
A1AGK C5  C15 C 0 1 N N N N N N 12.212 28.180 26.152 -6.504 -0.206 -0.097 C5  A1AGK 15 
A1AGK C6  C16 C 0 1 N N N N N N 11.734 29.591 26.488 -6.606 -1.731 -0.176 C6  A1AGK 16 
A1AGK C9  C17 C 0 1 N N N N N N 12.148 32.399 27.329 -7.923 -4.240 0.566  C9  A1AGK 17 
A1AGK C8  C18 C 0 1 N N N N N N 11.828 32.045 25.888 -8.069 -3.646 -0.836 C8  A1AGK 18 
A1AGK C1  C19 C 0 1 N N N N N N 10.915 23.711 25.980 -1.089 1.330  -0.893 C1  A1AGK 19 
A1AGK O1  O1  O 0 1 N N N N N N 10.249 22.909 25.367 -1.007 0.952  -2.045 O1  A1AGK 20 
A1AGK O3  O2  O 0 1 N N N N N N 10.493 29.298 22.869 -5.675 1.911  2.592  O3  A1AGK 21 
A1AGK O4  O3  O 0 1 N N N N N N 6.819  20.163 23.834 2.440  -2.185 -0.934 O4  A1AGK 22 
A1AGK C15 C20 C 0 1 N N S N N N 12.135 21.994 27.181 1.240  0.686  -0.578 C15 A1AGK 23 
A1AGK C17 C21 C 0 1 N N N N N N 14.662 22.387 27.532 1.291  2.271  -2.509 C17 A1AGK 24 
A1AGK C19 C22 C 0 1 N N N N N N 15.772 22.285 28.576 1.210  1.133  -3.528 C19 A1AGK 25 
A1AGK C20 C23 C 0 1 N N N N N N 10.910 21.369 27.852 2.037  0.129  0.573  C20 A1AGK 26 
A1AGK C22 C24 C 0 1 N N N N N N 8.084  19.658 26.483 4.964  -2.062 0.954  C22 A1AGK 27 
A1AGK C16 C25 C 0 1 N N N N N N 13.344 21.867 28.102 2.044  1.791  -1.267 C16 A1AGK 28 
A1AGK C24 C26 C 0 1 N N N N N N 6.680  20.928 24.794 3.447  -2.857 -0.867 C24 A1AGK 29 
A1AGK C25 C27 C 0 1 N N N N N N 5.834  22.635 26.141 5.288  -4.125 -1.500 C25 A1AGK 30 
A1AGK N1  N1  N 0 1 N N N N N N 10.402 27.751 24.528 -5.002 1.647  0.442  N1  A1AGK 31 
A1AGK N2  N2  N 0 1 N N N N N N 11.901 23.384 26.829 -0.020 1.240  -0.076 N2  A1AGK 32 
A1AGK N3  N3  N 0 1 N N N N N N 10.331 20.355 27.208 3.240  -0.436 0.350  N3  A1AGK 33 
A1AGK N4  N4  N 0 1 N N N N N N 5.698  21.806 24.947 4.102  -3.369 -1.923 N4  A1AGK 34 
A1AGK O2  O4  O 0 1 N N N N N N 10.710 25.050 25.957 -2.247 1.839  -0.432 O2  A1AGK 35 
A1AGK O5  O5  O 0 1 N N N N N N 10.239 18.490 29.374 3.937  1.099  2.701  O5  A1AGK 36 
A1AGK O6  O6  O 0 1 N N N N N N 10.504 21.792 28.935 1.595  0.188  1.702  O6  A1AGK 37 
A1AGK H1  H1  H 0 1 N N N N N N 15.995 22.040 25.881 3.039  3.151  -3.409 H1  A1AGK 38 
A1AGK H2  H2  H 0 1 N N N N N N 15.157 20.573 26.491 1.495  3.800  -4.012 H2  A1AGK 39 
A1AGK H3  H3  H 0 1 N N N N N N 14.257 21.779 25.511 2.089  4.269  -2.401 H3  A1AGK 40 
A1AGK S1  S1  S 0 1 N Y N N N N 9.795  17.729 27.529 5.847  0.959  0.860  S1  A1AGK 41 
A1AGK H5  H5  H 0 1 N N N N N N 8.404  18.013 28.646 5.469  -0.274 2.893  H5  A1AGK 42 
A1AGK H6  H6  H 0 1 N N N N N N 6.320  21.214 27.710 6.031  -4.350 0.544  H6  A1AGK 43 
A1AGK H7  H7  H 0 1 N N N N N N 7.507  22.549 27.524 4.601  -5.366 0.163  H7  A1AGK 44 
A1AGK H8  H8  H 0 1 N N N N N N 8.508  21.598 25.672 3.429  -3.576 1.163  H8  A1AGK 45 
A1AGK H9  H9  H 0 1 N N N N N N 11.537 29.245 28.598 -7.252 -1.941 1.868  H9  A1AGK 46 
A1AGK H10 H10 H 0 1 N N N N N N 13.128 29.905 28.091 -5.490 -2.047 1.639  H10 A1AGK 47 
A1AGK H11 H11 H 0 1 N N N N N N 11.884 31.613 29.307 -5.769 -4.234 0.505  H11 A1AGK 48 
A1AGK H12 H12 H 0 1 N N N N N N 10.469 31.405 28.220 -6.458 -4.274 2.145  H12 A1AGK 49 
A1AGK H13 H13 H 0 1 N N N N N N 7.814  29.093 23.336 -6.020 4.346  1.094  H13 A1AGK 50 
A1AGK H14 H14 H 0 1 N N N N N N 8.228  27.484 22.654 -4.530 4.307  2.088  H14 A1AGK 51 
A1AGK H15 H15 H 0 1 N N N N N N 7.666  28.267 25.524 -4.495 4.692  -0.669 H15 A1AGK 52 
A1AGK H16 H16 H 0 1 N N N N N N 7.370  26.704 24.690 -3.147 3.905  0.217  H16 A1AGK 53 
A1AGK H17 H17 H 0 1 N N N N N N 12.029 30.396 24.518 -8.759 -1.737 -0.114 H17 A1AGK 54 
A1AGK H18 H18 H 0 1 N N N N N N 13.419 30.616 25.634 -8.071 -1.698 -1.755 H18 A1AGK 55 
A1AGK H19 H19 H 0 1 N N N N N N 8.671  24.993 25.494 -3.596 0.902  -1.719 H19 A1AGK 56 
A1AGK H20 H20 H 0 1 N N N N N N 9.771  25.267 24.101 -3.078 2.531  -2.216 H20 A1AGK 57 
A1AGK H21 H21 H 0 1 N N N N N N 8.632  20.370 28.426 3.336  -1.409 2.205  H21 A1AGK 58 
A1AGK H22 H22 H 0 1 N N N N N N 9.542  27.261 26.395 -5.392 2.638  -1.380 H22 A1AGK 59 
A1AGK H23 H23 H 0 1 N N N N N N 12.146 26.625 24.679 -4.907 -0.241 1.349  H23 A1AGK 60 
A1AGK H24 H24 H 0 1 N N N N N N 12.349 28.282 24.016 -4.364 -0.189 -0.345 H24 A1AGK 61 
A1AGK H25 H25 H 0 1 N N N N N N 11.786 27.491 26.896 -7.239 0.170  0.614  H25 A1AGK 62 
A1AGK H26 H26 H 0 1 N N N N N N 13.309 28.167 26.226 -6.696 0.222  -1.080 H26 A1AGK 63 
A1AGK H27 H27 H 0 1 N N N N N N 10.641 29.610 26.364 -5.813 -2.115 -0.818 H27 A1AGK 64 
A1AGK H28 H28 H 0 1 N N N N N N 13.240 32.432 27.458 -7.995 -5.327 0.510  H28 A1AGK 65 
A1AGK H29 H29 H 0 1 N N N N N N 11.721 33.386 27.560 -8.715 -3.856 1.208  H29 A1AGK 66 
A1AGK H30 H30 H 0 1 N N N N N N 12.319 32.769 25.221 -9.038 -3.924 -1.249 H30 A1AGK 67 
A1AGK H31 H31 H 0 1 N N N N N N 10.739 32.090 25.739 -7.276 -4.030 -1.478 H31 A1AGK 68 
A1AGK H32 H32 H 0 1 N N N N N N 12.346 21.425 26.264 1.029  -0.109 -1.292 H32 A1AGK 69 
A1AGK H33 H33 H 0 1 N N N N N N 14.528 23.449 27.279 0.284  2.578  -2.227 H33 A1AGK 70 
A1AGK H34 H34 H 0 1 N N N N N N 15.474 22.830 29.484 2.217  0.826  -3.810 H34 A1AGK 71 
A1AGK H35 H35 H 0 1 N N N N N N 15.946 21.228 28.824 0.682  0.287  -3.087 H35 A1AGK 72 
A1AGK H36 H36 H 0 1 N N N N N N 16.696 22.724 28.172 0.673  1.475  -4.413 H36 A1AGK 73 
A1AGK H37 H37 H 0 1 N N N N N N 7.201  19.094 26.818 5.602  -2.403 1.769  H37 A1AGK 74 
A1AGK H38 H38 H 0 1 N N N N N N 8.565  19.125 25.649 5.582  -1.653 0.155  H38 A1AGK 75 
A1AGK H39 H39 H 0 1 N N N N N N 13.129 22.428 29.023 2.179  2.625  -0.578 H39 A1AGK 76 
A1AGK H40 H40 H 0 1 N N N N N N 13.476 20.802 28.343 3.019  1.401  -1.561 H40 A1AGK 77 
A1AGK H41 H41 H 0 1 N N N N N N 6.219  23.634 25.887 6.189  -3.531 -1.656 H41 A1AGK 78 
A1AGK H42 H42 H 0 1 N N N N N N 4.871  22.735 26.664 5.356  -5.063 -2.050 H42 A1AGK 79 
A1AGK H43 H43 H 0 1 N N N N N N 12.478 24.101 27.221 -0.086 1.542  0.843  H43 A1AGK 80 
A1AGK H44 H44 H 0 1 N N N N N N 10.774 20.000 26.384 3.593  -0.483 -0.553 H44 A1AGK 81 
A1AGK H45 H45 H 0 1 N N N N N N 4.936  21.892 24.305 3.827  -3.255 -2.846 H45 A1AGK 82 
A1AGK H46 H46 H 0 1 N N N N N N 10.401 17.627 29.738 3.333  1.512  2.069  H46 A1AGK 83 
A1AGK O8  O8  O 0 1 N Y N N N N ?      ?      ?      6.596  2.043  1.622  O8  A1AGK 84 
A1AGK O7  O7  O 0 1 N Y N N N N ?      ?      ?      6.867  0.083  0.402  O7  A1AGK 85 
A1AGK O9  O9  O 0 1 N Y N N N N ?      ?      ?      5.031  1.676  -0.057 O9  A1AGK 86 
A1AGK H4  H4  H 0 1 N N N N N N ?      ?      ?      7.192  2.570  1.072  H4  A1AGK 87 
# 
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 
A1AGK O3  C12 DOUB N N 1  
A1AGK C13 C12 SING N N 2  
A1AGK C13 C14 SING N N 3  
A1AGK C12 N1  SING N N 4  
A1AGK O4  C24 DOUB N N 5  
A1AGK N1  C4  SING N N 6  
A1AGK N1  C3  SING N N 7  
A1AGK C4  C5  SING N N 8  
A1AGK C24 N4  SING N N 9  
A1AGK C24 C23 SING N N 10 
A1AGK C14 C3  SING N N 11 
A1AGK N4  C25 SING N N 12 
A1AGK C2  C3  SING N N 13 
A1AGK C2  O2  SING N N 14 
A1AGK O1  C1  DOUB N N 15 
A1AGK C7  C8  SING N N 16 
A1AGK C7  C6  SING N N 17 
A1AGK C8  C9  SING N N 18 
A1AGK O2  C1  SING N N 19 
A1AGK C23 C22 SING N N 20 
A1AGK C23 C26 SING N N 21 
A1AGK C1  N2  SING N N 22 
A1AGK C25 C26 SING N N 23 
A1AGK C5  C6  SING N N 24 
A1AGK C18 C17 SING N N 25 
A1AGK C22 C21 SING N N 26 
A1AGK C6  C11 SING N N 27 
A1AGK N2  C15 SING N N 28 
A1AGK C15 C20 SING N N 29 
A1AGK C15 C16 SING N N 30 
A1AGK N3  C21 SING N N 31 
A1AGK N3  C20 SING N N 32 
A1AGK C9  C10 SING N N 33 
A1AGK C17 C16 SING N N 34 
A1AGK C17 C19 SING N N 35 
A1AGK C21 C27 SING N N 36 
A1AGK C20 O6  DOUB N N 37 
A1AGK C11 C10 SING N N 38 
A1AGK C27 O5  SING N N 39 
A1AGK C18 H1  SING N N 40 
A1AGK C18 H2  SING N N 41 
A1AGK C18 H3  SING N N 42 
A1AGK C27 S1  SING N N 43 
A1AGK C27 H5  SING N N 44 
A1AGK C26 H6  SING N N 45 
A1AGK C26 H7  SING N N 46 
A1AGK C23 H8  SING N N 47 
A1AGK C11 H9  SING N N 48 
A1AGK C11 H10 SING N N 49 
A1AGK C10 H11 SING N N 50 
A1AGK C10 H12 SING N N 51 
A1AGK C13 H13 SING N N 52 
A1AGK C13 H14 SING N N 53 
A1AGK C14 H15 SING N N 54 
A1AGK C14 H16 SING N N 55 
A1AGK C7  H17 SING N N 56 
A1AGK C7  H18 SING N N 57 
A1AGK C2  H19 SING N N 58 
A1AGK C2  H20 SING N N 59 
A1AGK C21 H21 SING N N 60 
A1AGK C3  H22 SING N N 61 
A1AGK C4  H23 SING N N 62 
A1AGK C4  H24 SING N N 63 
A1AGK C5  H25 SING N N 64 
A1AGK C5  H26 SING N N 65 
A1AGK C6  H27 SING N N 66 
A1AGK C9  H28 SING N N 67 
A1AGK C9  H29 SING N N 68 
A1AGK C8  H30 SING N N 69 
A1AGK C8  H31 SING N N 70 
A1AGK C15 H32 SING N N 71 
A1AGK C17 H33 SING N N 72 
A1AGK C19 H34 SING N N 73 
A1AGK C19 H35 SING N N 74 
A1AGK C19 H36 SING N N 75 
A1AGK C22 H37 SING N N 76 
A1AGK C22 H38 SING N N 77 
A1AGK C16 H39 SING N N 78 
A1AGK C16 H40 SING N N 79 
A1AGK C25 H41 SING N N 80 
A1AGK C25 H42 SING N N 81 
A1AGK N2  H43 SING N N 82 
A1AGK N3  H44 SING N N 83 
A1AGK N4  H45 SING N N 84 
A1AGK O5  H46 SING N N 85 
A1AGK S1  O8  SING N N 86 
A1AGK S1  O7  DOUB N N 87 
A1AGK S1  O9  DOUB N N 88 
A1AGK O8  H4  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 
A1AGK SMILES           ACDLabs              12.01 "O=C1NCCC1CC(NC(=O)C(CC(C)C)NC(=O)OCC1CCC(=O)N1CCC1CCCCC1)C(O)S(=O)(=O)O"                                                                                                                                                                        
A1AGK InChI            InChI                1.06  "InChI=1S/C27H46N4O9S/c1-17(2)14-21(25(34)29-22(26(35)41(37,38)39)15-19-10-12-28-24(19)33)30-27(36)40-16-20-8-9-23(32)31(20)13-11-18-6-4-3-5-7-18/h17-22,26,35H,3-16H2,1-2H3,(H,28,33)(H,29,34)(H,30,36)(H,37,38,39)/t19-,20-,21-,22-,26+/m0/s1" 
A1AGK InChIKey         InChI                1.06  UKTOBRQSOYSYJK-LEUUJVKFSA-N                                                                                                                                                                                                                      
A1AGK SMILES_CANONICAL CACTVS               3.385 "CC(C)C[C@H](NC(=O)OC[C@@H]1CCC(=O)N1CCC2CCCCC2)C(=O)N[C@@H](C[C@@H]3CCNC3=O)[C@H](O)[S](O)(=O)=O"                                                                                                                                               
A1AGK SMILES           CACTVS               3.385 "CC(C)C[CH](NC(=O)OC[CH]1CCC(=O)N1CCC2CCCCC2)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)[S](O)(=O)=O"                                                                                                                                                       
A1AGK SMILES_CANONICAL "OpenEye OEToolkits" 2.0.7 "CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OC[C@@H]2CCC(=O)N2CCC3CCCCC3"                                                                                                                                                    
A1AGK SMILES           "OpenEye OEToolkits" 2.0.7 "CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OCC2CCC(=O)N2CCC3CCCCC3"                                                                                                                                                                        
# 
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 
A1AGK "SYSTEMATIC NAME" ACDLabs              12.01 "(1R,2S)-2-{[N-({[(2S)-1-(2-cyclohexylethyl)-5-oxopyrrolidin-2-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid"                                                  
A1AGK "SYSTEMATIC NAME" "OpenEye OEToolkits" 2.0.7 "(2~{S})-2-[[(2~{S})-2-[[(2~{S})-1-(2-cyclohexylethyl)-5-oxidanylidene-pyrrolidin-2-yl]methoxycarbonylamino]-4-methyl-pentanoyl]amino]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propane-1-sulfonic acid" 
# 
loop_
_pdbx_chem_comp_audit.comp_id 
_pdbx_chem_comp_audit.action_type 
_pdbx_chem_comp_audit.date 
_pdbx_chem_comp_audit.processing_site 
A1AGK "Create component" 2024-02-29 RCSB 
A1AGK "Initial release"  2024-07-10 RCSB 
A1AGK "Modify PCM"       2024-09-27 PDBE 
# 
_pdbx_chem_comp_pcm.pcm_id                             1 
_pdbx_chem_comp_pcm.comp_id                            A1AGK 
_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               C27 
_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      ? 
# 
