data_A1AGN
# 
_chem_comp.id                                    A1AGN 
_chem_comp.name                                  "(1S,2S)-2-{[N-({[(2S)-1-{[(1S,2S,4R)-bicyclo[2.2.1]heptan-2-yl]methyl}-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 H44 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                        600.725 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     A1AGN 
_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        9AT4 
_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 
A1AGN N1  N1  N 0 1 N N N N N N 11.831 23.499 26.920 1.057  -1.158 -0.086 N1  A1AGN 1  
A1AGN C2  C1  C 0 1 N N N N N N 8.245  27.764 23.419 6.604  -1.795 1.609  C2  A1AGN 2  
A1AGN C3  C2  C 0 1 N N N N N N 7.796  27.406 24.817 5.781  -2.490 0.499  C3  A1AGN 3  
A1AGN N4  N2  N 0 1 N N N N N N 10.085 27.841 24.817 5.975  -0.138 0.075  N4  A1AGN 4  
A1AGN C5  C3  C 0 1 N N N N N N 9.472  25.553 25.279 4.453  -1.428 -1.364 C5  A1AGN 5  
A1AGN C6  C4  C 0 1 N N N N N N 10.878 23.860 26.044 2.114  -1.281 -0.914 C6  A1AGN 6  
A1AGN C7  C5  C 0 1 N N S N N N 12.038 22.083 27.183 -0.303 -1.146 -0.631 C7  A1AGN 7  
A1AGN C8  C6  C 0 1 N N N N N N 13.205 21.837 28.137 -0.792 -2.584 -0.813 C8  A1AGN 8  
A1AGN C9  C7  C 0 1 N N N N N N 14.540 22.390 27.665 0.062  -3.283 -1.873 C9  A1AGN 9  
A1AGN C10 C8  C 0 1 N N N N N N 15.615 22.212 28.734 -0.344 -4.755 -1.966 C10 A1AGN 10 
A1AGN C11 C9  C 0 1 N N N N N N 14.973 21.796 26.341 -0.153 -2.608 -3.228 C11 A1AGN 11 
A1AGN C12 C10 C 0 1 N N N N N N 10.755 21.530 27.797 -1.219 -0.421 0.321  C12 A1AGN 12 
A1AGN C13 C11 C 0 1 N N S N N N 9.003  19.795 27.661 -3.417 0.420  0.951  C13 A1AGN 13 
A1AGN C14 C12 C 0 1 N N N N N N 8.032  19.684 26.480 -4.584 1.030  0.171  C14 A1AGN 14 
A1AGN C15 C13 C 0 1 N N S N N N 7.517  21.036 25.970 -4.055 2.106  -0.779 C15 A1AGN 15 
A1AGN C16 C14 C 0 1 N N N N N N 6.628  20.907 24.740 -5.189 2.710  -1.578 C16 A1AGN 16 
A1AGN C21 C15 C 0 1 N N S N N N 11.415 29.073 26.512 4.242  1.559  -0.237 C21 A1AGN 17 
A1AGN C20 C16 C 0 1 N N N N N N 11.419 28.084 25.363 5.694  1.170  -0.522 C20 A1AGN 18 
A1AGN C18 C17 C 0 1 N N N N N N 6.653  21.817 26.968 -3.477 3.297  0.019  C18 A1AGN 19 
A1AGN C17 C18 C 0 1 N N N N N N 5.605  22.509 26.105 -3.890 4.497  -0.862 C17 A1AGN 20 
A1AGN C23 C19 C 0 1 N N R N N N 12.679 31.101 26.739 3.590  3.285  1.387  C23 A1AGN 21 
A1AGN C1  C20 C 0 1 N N N N N N 9.636  28.298 23.624 6.438  -0.319 1.323  C1  A1AGN 22 
A1AGN C4  C21 C 0 1 N N S N N N 9.094  27.004 25.521 5.787  -1.420 -0.615 C4  A1AGN 23 
A1AGN C19 C22 C 0 1 N N S N N N 9.238  18.440 28.297 -3.957 -0.565 1.990  C19 A1AGN 24 
A1AGN C22 C23 C 0 1 N N N N N N 12.832 29.622 26.771 4.034  1.794  1.277  C22 A1AGN 25 
A1AGN C24 C24 C 0 1 N N N N N N 11.871 31.531 27.961 2.152  3.309  0.783  C24 A1AGN 26 
A1AGN C25 C25 C 0 1 N N N N N N 10.434 31.101 27.611 2.360  3.074  -0.730 C25 A1AGN 27 
A1AGN C26 C26 C 0 1 N N S N N N 10.600 30.354 26.283 3.903  2.929  -0.899 C26 A1AGN 28 
A1AGN C27 C27 C 0 1 N N N N N N 11.670 31.265 25.634 4.410  3.920  0.209  C27 A1AGN 29 
A1AGN N2  N3  N 0 1 N N N N N N 10.265 20.408 27.246 -2.527 -0.285 0.026  N2  A1AGN 30 
A1AGN N3  N4  N 0 1 N N N N N N 5.569  21.697 24.897 -5.075 4.049  -1.603 N3  A1AGN 31 
A1AGN O1  O1  O 0 1 N N N N N N 10.290 28.996 22.849 6.687  0.572  2.108  O1  A1AGN 32 
A1AGN O2  O2  O 0 1 N N N N N N 10.620 25.183 26.086 3.364  -1.292 -0.414 O2  A1AGN 33 
A1AGN O3  O3  O 0 1 N N N N N N 6.862  20.196 23.753 -6.072 2.078  -2.118 O3  A1AGN 34 
A1AGN O4  O4  O 0 1 N N N N N N 8.050  17.863 28.834 -4.914 0.095  2.820  O4  A1AGN 35 
A1AGN O5  O5  O 0 1 N N N N N N 10.204 22.116 28.736 -0.779 0.041  1.353  O5  A1AGN 36 
A1AGN O6  O6  O 0 1 N N N N N N 10.327 23.117 25.263 1.938  -1.382 -2.112 O6  A1AGN 37 
A1AGN H1  H1  H 0 1 N N N N N N 12.387 24.190 27.382 1.197  -1.082 0.870  H1  A1AGN 38 
A1AGN H2  H2  H 0 1 N N N N N N 7.590  28.531 22.980 6.203  -2.041 2.592  H2  A1AGN 39 
A1AGN H3  H3  H 0 1 N N N N N N 8.256  26.876 22.770 7.653  -2.082 1.541  H3  A1AGN 40 
A1AGN H4  H4  H 0 1 N N N N N N 7.332  28.271 25.314 6.271  -3.405 0.165  H4  A1AGN 41 
A1AGN H5  H5  H 0 1 N N N N N N 7.084  26.568 24.798 4.765  -2.696 0.837  H5  A1AGN 42 
A1AGN H6  H6  H 0 1 N N N N N N 8.621  24.909 25.544 4.427  -0.596 -2.068 H6  A1AGN 43 
A1AGN H7  H7  H 0 1 N N N N N N 9.718  25.416 24.216 4.347  -2.367 -1.907 H7  A1AGN 44 
A1AGN H8  H8  H 0 1 N N N N N N 12.235 21.555 26.239 -0.304 -0.637 -1.595 H8  A1AGN 45 
A1AGN H9  H9  H 0 1 N N N N N N 12.963 22.305 29.102 -0.707 -3.119 0.133  H9  A1AGN 46 
A1AGN H10 H10 H 0 1 N N N N N N 13.313 20.751 28.273 -1.834 -2.576 -1.134 H10 A1AGN 47 
A1AGN H11 H11 H 0 1 N N N N N N 14.410 23.471 27.512 1.114  -3.214 -1.595 H11 A1AGN 48 
A1AGN H12 H12 H 0 1 N N N N N N 15.269 22.654 29.680 -1.396 -4.825 -2.243 H12 A1AGN 49 
A1AGN H13 H13 H 0 1 N N N N N N 15.812 21.140 28.880 0.264  -5.253 -2.721 H13 A1AGN 50 
A1AGN H14 H14 H 0 1 N N N N N N 16.539 22.714 28.412 -0.191 -5.237 -1.000 H14 A1AGN 51 
A1AGN H15 H15 H 0 1 N N N N N N 15.941 22.227 26.044 -1.205 -2.677 -3.506 H15 A1AGN 52 
A1AGN H16 H16 H 0 1 N N N N N N 15.073 20.705 26.444 0.137  -1.559 -3.162 H16 A1AGN 53 
A1AGN H17 H17 H 0 1 N N N N N N 14.219 22.024 25.573 0.455  -3.106 -3.983 H17 A1AGN 54 
A1AGN H18 H18 H 0 1 N N N N N N 8.534  20.443 28.416 -2.864 1.212  1.455  H18 A1AGN 55 
A1AGN H19 H19 H 0 1 N N N N N N 7.168  19.082 26.797 -5.083 0.250  -0.404 H19 A1AGN 56 
A1AGN H20 H20 H 0 1 N N N N N N 8.549  19.176 25.653 -5.292 1.477  0.868  H20 A1AGN 57 
A1AGN H21 H21 H 0 1 N N N N N N 8.385  21.658 25.706 -3.298 1.689  -1.443 H21 A1AGN 58 
A1AGN H22 H22 H 0 1 N N N N N N 11.052 28.573 27.422 3.564  0.785  -0.597 H22 A1AGN 59 
A1AGN H23 H23 H 0 1 N N N N N N 11.830 27.129 25.723 6.361  1.916  -0.091 H23 A1AGN 60 
A1AGN H24 H24 H 0 1 N N N N N N 12.060 28.480 24.561 5.852  1.120  -1.599 H24 A1AGN 61 
A1AGN H25 H25 H 0 1 N N N N N N 6.176  21.134 27.687 -3.934 3.363  1.007  H25 A1AGN 62 
A1AGN H26 H26 H 0 1 N N N N N N 7.259  22.557 27.512 -2.393 3.225  0.098  H26 A1AGN 63 
A1AGN H27 H27 H 0 1 N N N N N N 5.905  23.542 25.875 -4.138 5.355  -0.238 H27 A1AGN 64 
A1AGN H28 H28 H 0 1 N N N N N N 4.625  22.514 26.605 -3.086 4.753  -1.552 H28 A1AGN 65 
A1AGN H29 H29 H 0 1 N N N N N N 13.614 31.662 26.594 3.702  3.744  2.369  H29 A1AGN 66 
A1AGN H30 H30 H 0 1 N N N N N N 9.051  27.233 26.596 6.610  -1.601 -1.307 H30 A1AGN 67 
A1AGN H31 H31 H 0 1 N N N N N N 9.952  18.588 29.121 -3.135 -0.932 2.604  H31 A1AGN 68 
A1AGN S1  S1  S 0 1 N Y N N N N 9.580  17.786 27.522 -4.750 -1.960 1.144  S1  A1AGN 69 
A1AGN H33 H33 H 0 1 N N N N N N 13.202 29.292 27.753 3.254  1.136  1.660  H33 A1AGN 70 
A1AGN H34 H34 H 0 1 N N N N N N 13.526 29.287 25.986 4.967  1.635  1.818  H34 A1AGN 71 
A1AGN H35 H35 H 0 1 N N N N N N 12.225 31.018 28.867 1.546  2.511  1.212  H35 A1AGN 72 
A1AGN H37 H37 H 0 1 N N N N N N 9.779  31.977 27.491 1.856  2.160  -1.045 H37 A1AGN 73 
A1AGN H39 H39 H 0 1 N N N N N N 9.678  30.226 25.696 4.289  3.079  -1.907 H39 A1AGN 74 
A1AGN H40 H40 H 0 1 N N N N N N 12.028 30.882 24.667 4.108  4.947  0.007  H40 A1AGN 75 
A1AGN H41 H41 H 0 1 N N N N N N 11.331 32.305 25.514 5.485  3.838  0.369  H41 A1AGN 76 
A1AGN H42 H42 H 0 1 N N N N N N 10.789 19.969 26.516 -2.878 -0.654 -0.799 H42 A1AGN 77 
A1AGN H43 H43 H 0 1 N N N N N N 4.814  21.730 24.242 -5.695 4.643  -2.054 H43 A1AGN 78 
A1AGN H44 H44 H 0 1 N N N N N N 8.253  17.018 29.219 -5.675 0.449  2.339  H44 A1AGN 79 
A1AGN O7  O7  O 0 1 N Y N N N N ?      ?      ?      -5.875 -1.517 0.397  O7  A1AGN 80 
A1AGN O9  O9  O 0 1 N Y N N N N ?      ?      ?      -3.773 -2.811 0.562  O9  A1AGN 81 
A1AGN O8  O8  O 0 1 N Y N N N N ?      ?      ?      -5.351 -2.793 2.268  O8  A1AGN 82 
A1AGN H32 H32 H 0 1 N N N N N N ?      ?      ?      -5.815 -3.585 1.965  H32 A1AGN 83 
A1AGN H36 H36 H 0 1 N N N N N N 11.931 32.619 28.109 1.683  4.277  0.958  H36 A1AGN 84 
A1AGN H38 H38 H 0 1 N N N N N N 10.022 30.439 28.386 1.992  3.926  -1.301 H38 A1AGN 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 
A1AGN O1  C1  DOUB N N 1  
A1AGN C2  C1  SING N N 2  
A1AGN C2  C3  SING N N 3  
A1AGN C1  N4  SING N N 4  
A1AGN O3  C16 DOUB N N 5  
A1AGN C16 N3  SING N N 6  
A1AGN C16 C15 SING N N 7  
A1AGN C3  C4  SING N N 8  
A1AGN N4  C20 SING N N 9  
A1AGN N4  C4  SING N N 10 
A1AGN N3  C17 SING N N 11 
A1AGN O6  C6  DOUB N N 12 
A1AGN C5  C4  SING N N 13 
A1AGN C5  O2  SING N N 14 
A1AGN C20 C21 SING N N 15 
A1AGN C27 C26 SING N N 16 
A1AGN C27 C23 SING N N 17 
A1AGN C15 C14 SING N N 18 
A1AGN C15 C18 SING N N 19 
A1AGN C6  O2  SING N N 20 
A1AGN C6  N1  SING N N 21 
A1AGN C17 C18 SING N N 22 
A1AGN C26 C21 SING N N 23 
A1AGN C26 C25 SING N N 24 
A1AGN C11 C9  SING N N 25 
A1AGN C14 C13 SING N N 26 
A1AGN C21 C22 SING N N 27 
A1AGN C23 C22 SING N N 28 
A1AGN C23 C24 SING N N 29 
A1AGN N1  C7  SING N N 30 
A1AGN C7  C12 SING N N 31 
A1AGN C7  C8  SING N N 32 
A1AGN N2  C13 SING N N 33 
A1AGN N2  C12 SING N N 34 
A1AGN C25 C24 SING N N 35 
A1AGN C13 C19 SING N N 36 
A1AGN C9  C8  SING N N 37 
A1AGN C9  C10 SING N N 38 
A1AGN C12 O5  DOUB N N 39 
A1AGN C19 O4  SING N N 40 
A1AGN N1  H1  SING N N 41 
A1AGN C2  H2  SING N N 42 
A1AGN C2  H3  SING N N 43 
A1AGN C3  H4  SING N N 44 
A1AGN C3  H5  SING N N 45 
A1AGN C5  H6  SING N N 46 
A1AGN C5  H7  SING N N 47 
A1AGN C7  H8  SING N N 48 
A1AGN C8  H9  SING N N 49 
A1AGN C8  H10 SING N N 50 
A1AGN C9  H11 SING N N 51 
A1AGN C10 H12 SING N N 52 
A1AGN C10 H13 SING N N 53 
A1AGN C10 H14 SING N N 54 
A1AGN C11 H15 SING N N 55 
A1AGN C11 H16 SING N N 56 
A1AGN C11 H17 SING N N 57 
A1AGN C13 H18 SING N N 58 
A1AGN C14 H19 SING N N 59 
A1AGN C14 H20 SING N N 60 
A1AGN C15 H21 SING N N 61 
A1AGN C21 H22 SING N N 62 
A1AGN C20 H23 SING N N 63 
A1AGN C20 H24 SING N N 64 
A1AGN C18 H25 SING N N 65 
A1AGN C18 H26 SING N N 66 
A1AGN C17 H27 SING N N 67 
A1AGN C17 H28 SING N N 68 
A1AGN C23 H29 SING N N 69 
A1AGN C4  H30 SING N N 70 
A1AGN C19 H31 SING N N 71 
A1AGN C19 S1  SING N N 72 
A1AGN C22 H33 SING N N 73 
A1AGN C22 H34 SING N N 74 
A1AGN C24 H35 SING N N 75 
A1AGN C25 H37 SING N N 76 
A1AGN C26 H39 SING N N 77 
A1AGN C27 H40 SING N N 78 
A1AGN C27 H41 SING N N 79 
A1AGN N2  H42 SING N N 80 
A1AGN N3  H43 SING N N 81 
A1AGN O4  H44 SING N N 82 
A1AGN S1  O7  DOUB N N 83 
A1AGN S1  O9  DOUB N N 84 
A1AGN S1  O8  SING N N 85 
A1AGN O8  H32 SING N N 86 
A1AGN C24 H36 SING N N 87 
A1AGN C25 H38 SING N N 88 
# 
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 
A1AGN SMILES           ACDLabs              12.01 "O=C1NCCC1CC(NC(=O)C(CC(C)C)NC(=O)OCC1CCC(=O)N1CC1CC2CC1CC2)C(O)S(=O)(=O)O"                                                                                                                                                                                     
A1AGN InChI            InChI                1.06  "InChI=1S/C27H44N4O9S/c1-15(2)9-21(25(34)29-22(26(35)41(37,38)39)12-18-7-8-28-24(18)33)30-27(36)40-14-20-5-6-23(32)31(20)13-19-11-16-3-4-17(19)10-16/h15-22,26,35H,3-14H2,1-2H3,(H,28,33)(H,29,34)(H,30,36)(H,37,38,39)/t16-,17+,18+,19-,20+,21+,22+,26+/m1/s1" 
A1AGN InChIKey         InChI                1.06  RCEGRHOAYJTPPY-XTXIHYAPSA-N                                                                                                                                                                                                                                     
A1AGN SMILES_CANONICAL CACTVS               3.385 "CC(C)C[C@H](NC(=O)OC[C@@H]1CCC(=O)N1C[C@H]2C[C@@H]3CC[C@H]2C3)C(=O)N[C@@H](C[C@@H]4CCNC4=O)[C@@H](O)[S](O)(=O)=O"                                                                                                                                              
A1AGN SMILES           CACTVS               3.385 "CC(C)C[CH](NC(=O)OC[CH]1CCC(=O)N1C[CH]2C[CH]3CC[CH]2C3)C(=O)N[CH](C[CH]4CCNC4=O)[CH](O)[S](O)(=O)=O"                                                                                                                                                           
A1AGN SMILES_CANONICAL "OpenEye OEToolkits" 2.0.7 "CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@@H](O)S(=O)(=O)O)NC(=O)OC[C@@H]2CCC(=O)N2C[C@H]3C[C@@H]4CC[C@H]3C4"                                                                                                                                               
A1AGN SMILES           "OpenEye OEToolkits" 2.0.7 "CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OCC2CCC(=O)N2CC3CC4CCC3C4"                                                                                                                                                                                     
# 
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 
A1AGN "SYSTEMATIC NAME" ACDLabs              12.01 "(1S,2S)-2-{[N-({[(2S)-1-{[(1S,2S,4R)-bicyclo[2.2.1]heptan-2-yl]methyl}-5-oxopyrrolidin-2-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid"                                                                
A1AGN "SYSTEMATIC NAME" "OpenEye OEToolkits" 2.0.7 "(1~{S},2~{S})-2-[[(2~{S})-2-[[(2~{S})-1-[[(1~{S},2~{S},4~{R})-2-bicyclo[2.2.1]heptanyl]methyl]-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 
A1AGN "Create component"    2024-02-29 RCSB 
A1AGN "Modify linking type" 2024-02-29 RCSB 
A1AGN "Initial release"     2024-07-10 RCSB 
A1AGN "Modify PCM"          2024-09-27 PDBE 
# 
_pdbx_chem_comp_pcm.pcm_id                             1 
_pdbx_chem_comp_pcm.comp_id                            A1AGN 
_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               C19 
_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      ? 
# 
