data_A1AGL
# 
_chem_comp.id                                    A1AGL 
_chem_comp.name                                  "(1S,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                     A1AGL 
_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 
A1AGL C13 C1  C 0 1 N N N N N N 8.228  28.144 23.519 -5.390 3.658  1.645  C13 A1AGL 1  
A1AGL C17 C2  C 0 1 N N N N N N 14.580 22.362 27.591 2.925  2.559  -2.251 C17 A1AGL 2  
A1AGL C16 C3  C 0 1 N N N N N N 13.214 21.901 28.094 1.654  2.839  -1.446 C16 A1AGL 3  
A1AGL C15 C4  C 0 1 N N S N N N 12.077 22.067 27.092 1.066  1.519  -0.946 C15 A1AGL 4  
A1AGL C11 C5  C 0 1 N N N N N N 11.870 29.959 27.963 -6.074 -2.614 1.236  C11 A1AGL 5  
A1AGL C12 C6  C 0 1 N N N N N N 9.674  28.521 23.628 -5.419 2.155  1.820  C12 A1AGL 6  
A1AGL O1  O1  O 0 1 N N N N N N 10.264 22.972 25.242 -1.331 1.507  -2.186 O1  A1AGL 7  
A1AGL N4  N1  N 0 1 N N N N N N 5.643  21.825 24.976 3.177  -2.658 -2.942 N4  A1AGL 8  
A1AGL C14 C7  C 0 1 N N N N N N 7.910  27.482 24.858 -4.655 3.869  0.301  C14 A1AGL 9  
A1AGL N3  N2  N 0 1 N N N N N N 10.337 20.362 27.238 3.088  0.197  -0.416 N3  A1AGL 10 
A1AGL C9  C8  C 0 1 N N N N N N 11.973 32.395 27.357 -7.363 -4.640 0.546  C9  A1AGL 11 
A1AGL C7  C9  C 0 1 N N N N N N 12.147 30.634 25.577 -7.762 -2.455 -0.599 C7  A1AGL 12 
A1AGL C8  C10 C 0 1 N N N N N N 11.652 32.041 25.916 -7.698 -3.972 -0.790 C8  A1AGL 13 
A1AGL C10 C11 C 0 1 N N N N N N 11.391 31.367 28.310 -6.010 -4.131 1.045  C10 A1AGL 14 
A1AGL N2  N3  N 0 1 N N N N N N 11.920 23.453 26.695 -0.216 1.775  -0.285 N2  A1AGL 15 
A1AGL N1  N4  N 0 1 N N N N N N 10.224 27.758 24.564 -5.148 1.548  0.652  N1  A1AGL 16 
A1AGL C6  C12 C 0 1 N N N N N N 11.562 29.587 26.518 -6.408 -1.946 -0.100 C6  A1AGL 17 
A1AGL C5  C13 C 0 1 N N N N N N 12.041 28.177 26.178 -6.472 -0.430 0.091  C5  A1AGL 18 
A1AGL C4  C14 C 0 1 N N N N N N 11.653 27.685 24.794 -5.086 0.096  0.470  C4  A1AGL 19 
A1AGL C3  C15 C 0 1 N N S N N N 9.267  26.993 25.366 -4.921 2.527  -0.417 C3  A1AGL 20 
A1AGL C2  C16 C 0 1 N N N N N N 9.477  25.501 25.171 -3.705 2.125  -1.254 C2  A1AGL 21 
A1AGL C1  C17 C 0 1 N N N N N N 10.928 23.776 25.855 -1.355 1.792  -1.005 C1  A1AGL 22 
A1AGL O3  O2  O 0 1 N N N N N N 10.276 29.326 22.919 -5.652 1.582  2.864  O3  A1AGL 23 
A1AGL O4  O3  O 0 1 N N N N N N 6.754  20.188 23.845 1.865  -1.360 -1.622 O4  A1AGL 24 
A1AGL C18 C18 C 0 1 N N N N N N 14.992 21.592 26.351 2.563  1.798  -3.527 C18 A1AGL 25 
A1AGL C19 C19 C 0 1 N N N N N N 15.640 22.233 28.683 3.597  3.883  -2.620 C19 A1AGL 26 
A1AGL C20 C20 C 0 1 N N N N N N 10.760 21.553 27.670 2.018  0.883  0.033  C20 A1AGL 27 
A1AGL C21 C21 C 0 1 N N S N N N 9.061  19.771 27.635 3.946  -0.522 0.529  C21 A1AGL 28 
A1AGL C22 C22 C 0 1 N N N N N N 8.089  19.706 26.449 4.655  -1.668 -0.196 C22 A1AGL 29 
A1AGL C23 C23 C 0 1 N N S N N N 7.594  21.069 25.967 3.623  -2.706 -0.641 C23 A1AGL 30 
A1AGL C24 C24 C 0 1 N N N N N N 6.629  20.956 24.804 2.775  -2.149 -1.764 C24 A1AGL 31 
A1AGL C25 C25 C 0 1 N N N N N N 5.790  22.651 26.169 4.308  -3.576 -2.768 C25 A1AGL 32 
A1AGL C26 C26 C 0 1 N N N N N N 6.818  21.885 26.994 4.323  -3.931 -1.265 C26 A1AGL 33 
A1AGL C27 C27 C 0 1 N N S N N N 9.285  18.397 28.241 4.988  0.439  1.105  C27 A1AGL 34 
A1AGL O2  O4  O 0 1 N N N N N N 10.665 25.102 25.891 -2.519 2.127  -0.417 O2  A1AGL 35 
A1AGL O5  O5  O 0 1 N N N N N N 8.054  17.857 28.729 4.329  1.575  1.669  O5  A1AGL 36 
A1AGL O6  O6  O 0 1 N N N N N N 10.112 22.264 28.437 1.822  0.988  1.225  O6  A1AGL 37 
A1AGL H1  H1  H 0 1 N N N N N N 7.603  29.036 23.367 -6.404 4.055  1.592  H1  A1AGL 38 
A1AGL H2  H2  H 0 1 N N N N N N 8.070  27.440 22.689 -4.838 4.126  2.460  H2  A1AGL 39 
A1AGL H3  H3  H 0 1 N N N N N N 14.500 23.425 27.321 3.610  1.959  -1.651 H3  A1AGL 40 
A1AGL H4  H4  H 0 1 N N N N N N 12.966 22.483 28.994 1.896  3.475  -0.594 H4  A1AGL 41 
A1AGL H5  H5  H 0 1 N N N N N N 13.287 20.835 28.356 0.926  3.345  -2.081 H5  A1AGL 42 
A1AGL H6  H6  H 0 1 N N N N N N 12.316 21.465 26.203 0.911  0.847  -1.791 H6  A1AGL 43 
A1AGL H7  H7  H 0 1 N N N N N N 11.369 29.240 28.628 -6.845 -2.372 1.967  H7  A1AGL 44 
A1AGL H8  H8  H 0 1 N N N N N N 12.958 29.906 28.118 -5.109 -2.252 1.592  H8  A1AGL 45 
A1AGL H9  H9  H 0 1 N N N N N N 4.870  21.907 24.346 2.769  -2.447 -3.796 H9  A1AGL 46 
A1AGL H10 H10 H 0 1 N N N N N N 7.470  28.208 25.557 -5.087 4.701  -0.254 H10 A1AGL 47 
A1AGL H11 H11 H 0 1 N N N N N N 7.217  26.638 24.721 -3.587 4.021  0.461  H11 A1AGL 48 
A1AGL H12 H12 H 0 1 N N N N N N 10.923 19.849 26.611 3.290  0.179  -1.364 H12 A1AGL 49 
A1AGL H13 H13 H 0 1 N N N N N N 13.065 32.427 27.485 -8.135 -4.398 1.276  H13 A1AGL 50 
A1AGL H14 H14 H 0 1 N N N N N N 11.547 33.382 27.589 -7.317 -5.720 0.410  H14 A1AGL 51 
A1AGL H15 H15 H 0 1 N N N N N N 11.851 30.391 24.546 -8.000 -1.980 -1.551 H15 A1AGL 52 
A1AGL H16 H16 H 0 1 N N N N N N 13.244 30.613 25.658 -8.533 -2.213 0.131  H16 A1AGL 53 
A1AGL H17 H17 H 0 1 N N N N N N 12.142 32.766 25.249 -6.926 -4.214 -1.520 H17 A1AGL 54 
A1AGL H18 H18 H 0 1 N N N N N N 10.563 32.085 25.768 -8.662 -4.335 -1.146 H18 A1AGL 55 
A1AGL H19 H19 H 0 1 N N N N N N 11.705 31.610 29.336 -5.238 -4.373 0.315  H19 A1AGL 56 
A1AGL H20 H20 H 0 1 N N N N N N 10.293 31.399 28.245 -5.771 -4.607 1.997  H20 A1AGL 57 
A1AGL H21 H21 H 0 1 N N N N N N 12.541 24.155 27.042 -0.245 1.931  0.672  H21 A1AGL 58 
A1AGL H22 H22 H 0 1 N N N N N N 10.469 29.604 26.396 -5.637 -2.189 -0.830 H22 A1AGL 59 
A1AGL H23 H23 H 0 1 N N N N N N 11.615 27.484 26.919 -6.797 0.040  -0.838 H23 A1AGL 60 
A1AGL H24 H24 H 0 1 N N N N N N 13.139 28.162 26.250 -7.181 -0.193 0.885  H24 A1AGL 61 
A1AGL H25 H25 H 0 1 N N N N N N 11.975 26.639 24.687 -4.378 -0.141 -0.324 H25 A1AGL 62 
A1AGL H26 H26 H 0 1 N N N N N N 12.164 28.304 24.042 -4.761 -0.373 1.399  H26 A1AGL 63 
A1AGL H27 H27 H 0 1 N N N N N N 9.372  27.245 26.432 -5.805 2.607  -1.049 H27 A1AGL 64 
A1AGL H28 H28 H 0 1 N N N N N N 8.607  24.951 25.559 -3.860 1.126  -1.663 H28 A1AGL 65 
A1AGL H29 H29 H 0 1 N N N N N N 9.602  25.282 24.100 -3.575 2.835  -2.071 H29 A1AGL 66 
A1AGL H30 H30 H 0 1 N N N N N N 15.977 21.944 26.011 3.474  1.539  -4.067 H30 A1AGL 67 
A1AGL H31 H31 H 0 1 N N N N N N 15.047 20.519 26.587 2.024  0.887  -3.266 H31 A1AGL 68 
A1AGL H32 H32 H 0 1 N N N N N N 14.250 21.755 25.555 1.932  2.425  -4.158 H32 A1AGL 69 
A1AGL H33 H33 H 0 1 N N N N N N 15.322 22.798 29.572 3.855  4.426  -1.711 H33 A1AGL 70 
A1AGL H34 H34 H 0 1 N N N N N N 15.766 21.173 28.948 4.502  3.684  -3.194 H34 A1AGL 71 
A1AGL H35 H35 H 0 1 N N N N N N 16.596 22.635 28.316 2.912  4.484  -3.219 H35 A1AGL 72 
A1AGL H36 H36 H 0 1 N N N N N N 8.604  20.409 28.406 3.338  -0.925 1.339  H36 A1AGL 73 
A1AGL H37 H37 H 0 1 N N N N N N 7.216  19.109 26.751 5.178  -1.277 -1.069 H37 A1AGL 74 
A1AGL H38 H38 H 0 1 N N N N N N 8.600  19.209 25.611 5.373  -2.135 0.478  H38 A1AGL 75 
A1AGL H39 H39 H 0 1 N N N N N N 8.464  21.658 25.642 3.001  -3.009 0.201  H39 A1AGL 76 
A1AGL H40 H40 H 0 1 N N N N N N 6.159  23.655 25.912 4.159  -4.475 -3.366 H40 A1AGL 77 
A1AGL H41 H41 H 0 1 N N N N N N 4.836  22.738 26.709 5.240  -3.085 -3.049 H41 A1AGL 78 
A1AGL H42 H42 H 0 1 N N N N N N 6.321  21.225 27.721 5.344  -4.029 -0.893 H42 A1AGL 79 
A1AGL H43 H43 H 0 1 N N N N N N 7.486  22.579 27.526 3.754  -4.842 -1.079 H43 A1AGL 80 
A1AGL H44 H44 H 0 1 N N N N N N 9.960  18.532 29.099 5.659  0.766  0.311  H44 A1AGL 81 
A1AGL S1  S1  S 0 1 N Y N N N N 9.664  17.747 27.480 5.944  -0.407 2.394  S1  A1AGL 82 
A1AGL H46 H46 H 0 1 N N N N N N 8.211  16.999 29.104 3.798  2.076  1.035  H46 A1AGL 83 
A1AGL O7  O7  O 0 1 N Y N N N N ?      ?      ?      5.087  -1.177 3.225  O7  A1AGL 84 
A1AGL O8  O8  O 0 1 N Y N N N N ?      ?      ?      6.766  -1.442 1.640  O8  A1AGL 85 
A1AGL O9  O9  O 0 1 N Y N N N N ?      ?      ?      6.913  0.470  2.953  O9  A1AGL 86 
A1AGL H45 H45 H 0 1 N N N N N N ?      ?      ?      7.336  -1.980 2.206  H45 A1AGL 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 
A1AGL O3  C12 DOUB N N 1  
A1AGL C13 C12 SING N N 2  
A1AGL C13 C14 SING N N 3  
A1AGL C12 N1  SING N N 4  
A1AGL O4  C24 DOUB N N 5  
A1AGL N1  C4  SING N N 6  
A1AGL N1  C3  SING N N 7  
A1AGL C4  C5  SING N N 8  
A1AGL C24 N4  SING N N 9  
A1AGL C24 C23 SING N N 10 
A1AGL C14 C3  SING N N 11 
A1AGL N4  C25 SING N N 12 
A1AGL C2  C3  SING N N 13 
A1AGL C2  O2  SING N N 14 
A1AGL O1  C1  DOUB N N 15 
A1AGL C7  C8  SING N N 16 
A1AGL C7  C6  SING N N 17 
A1AGL C1  O2  SING N N 18 
A1AGL C1  N2  SING N N 19 
A1AGL C8  C9  SING N N 20 
A1AGL C23 C22 SING N N 21 
A1AGL C23 C26 SING N N 22 
A1AGL C25 C26 SING N N 23 
A1AGL C5  C6  SING N N 24 
A1AGL C18 C17 SING N N 25 
A1AGL C22 C21 SING N N 26 
A1AGL C6  C11 SING N N 27 
A1AGL N2  C15 SING N N 28 
A1AGL C15 C20 SING N N 29 
A1AGL C15 C16 SING N N 30 
A1AGL N3  C21 SING N N 31 
A1AGL N3  C20 SING N N 32 
A1AGL C9  C10 SING N N 33 
A1AGL C17 C16 SING N N 34 
A1AGL C17 C19 SING N N 35 
A1AGL C21 C27 SING N N 36 
A1AGL C20 O6  DOUB N N 37 
A1AGL C11 C10 SING N N 38 
A1AGL C27 O5  SING N N 39 
A1AGL C13 H1  SING N N 40 
A1AGL C13 H2  SING N N 41 
A1AGL C17 H3  SING N N 42 
A1AGL C16 H4  SING N N 43 
A1AGL C16 H5  SING N N 44 
A1AGL C15 H6  SING N N 45 
A1AGL C11 H7  SING N N 46 
A1AGL C11 H8  SING N N 47 
A1AGL N4  H9  SING N N 48 
A1AGL C14 H10 SING N N 49 
A1AGL C14 H11 SING N N 50 
A1AGL N3  H12 SING N N 51 
A1AGL C9  H13 SING N N 52 
A1AGL C9  H14 SING N N 53 
A1AGL C7  H15 SING N N 54 
A1AGL C7  H16 SING N N 55 
A1AGL C8  H17 SING N N 56 
A1AGL C8  H18 SING N N 57 
A1AGL C10 H19 SING N N 58 
A1AGL C10 H20 SING N N 59 
A1AGL N2  H21 SING N N 60 
A1AGL C6  H22 SING N N 61 
A1AGL C5  H23 SING N N 62 
A1AGL C5  H24 SING N N 63 
A1AGL C4  H25 SING N N 64 
A1AGL C4  H26 SING N N 65 
A1AGL C3  H27 SING N N 66 
A1AGL C2  H28 SING N N 67 
A1AGL C2  H29 SING N N 68 
A1AGL C18 H30 SING N N 69 
A1AGL C18 H31 SING N N 70 
A1AGL C18 H32 SING N N 71 
A1AGL C19 H33 SING N N 72 
A1AGL C19 H34 SING N N 73 
A1AGL C19 H35 SING N N 74 
A1AGL C21 H36 SING N N 75 
A1AGL C22 H37 SING N N 76 
A1AGL C22 H38 SING N N 77 
A1AGL C23 H39 SING N N 78 
A1AGL C25 H40 SING N N 79 
A1AGL C25 H41 SING N N 80 
A1AGL C26 H42 SING N N 81 
A1AGL C26 H43 SING N N 82 
A1AGL C27 H44 SING N N 83 
A1AGL C27 S1  SING N N 84 
A1AGL O5  H46 SING N N 85 
A1AGL S1  O7  DOUB N N 86 
A1AGL S1  O8  SING N N 87 
A1AGL S1  O9  DOUB N N 88 
A1AGL O8  H45 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 
A1AGL SMILES           ACDLabs              12.01 "O=C1NCCC1CC(NC(=O)C(CC(C)C)NC(=O)OCC1CCC(=O)N1CCC1CCCCC1)C(O)S(=O)(=O)O"                                                                                                                                                                        
A1AGL 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" 
A1AGL InChIKey         InChI                1.06  UKTOBRQSOYSYJK-KAWFJRQCSA-N                                                                                                                                                                                                                      
A1AGL 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"                                                                                                                                              
A1AGL 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"                                                                                                                                                       
A1AGL 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"                                                                                                                                                    
A1AGL 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 
A1AGL "SYSTEMATIC NAME" ACDLabs              12.01 "(1S,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"                                                  
A1AGL "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 
A1AGL "Create component" 2024-02-29 RCSB 
A1AGL "Initial release"  2024-07-10 RCSB 
A1AGL "Modify PCM"       2024-09-27 PDBE 
# 
_pdbx_chem_comp_pcm.pcm_id                             1 
_pdbx_chem_comp_pcm.comp_id                            A1AGL 
_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      ? 
# 
