data_A1AGR
# 
_chem_comp.id                                    A1AGR 
_chem_comp.name                                  "(1S,2S)-2-{[N-({[(2S)-1-{[(1R,2S,4R)-bicyclo[2.2.1]hept-5-en-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 H42 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                        598.709 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     A1AGR 
_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        9ATH 
_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 
A1AGR O4  O1  O 0 1 N N N N N N 11.899 -33.658 1.419   -5.829 0.283  -2.570 O4  A1AGR 1  
A1AGR O3  O2  O 0 1 N N N N N N 12.128 -27.897 0.808   -6.158 -3.177 1.660  O3  A1AGR 2  
A1AGR C16 C1  C 0 1 N N N N N N 12.449 -28.587 -0.175  -5.369 -3.559 0.821  C16 A1AGR 3  
A1AGR C15 C2  C 0 1 N N S N N N 11.748 -29.859 -0.633  -4.403 -2.669 0.070  C15 A1AGR 4  
A1AGR C14 C3  C 0 1 N N N N N N 11.448 -30.820 0.521   -5.110 -1.402 -0.416 C14 A1AGR 5  
A1AGR C13 C4  C 0 1 N N S N N N 10.668 -32.048 0.049   -4.090 -0.468 -1.070 C13 A1AGR 6  
A1AGR C18 C5  C 0 1 N N N N N N 12.716 -30.456 -1.657  -3.950 -3.531 -1.131 C18 A1AGR 7  
A1AGR C17 C6  C 0 1 N N N N N N 13.517 -29.258 -2.139  -4.179 -4.962 -0.597 C17 A1AGR 8  
A1AGR C4  C7  C 0 1 N N S N N N 9.314  -27.568 -6.084  5.093  1.759  0.040  C4  A1AGR 9  
A1AGR O2  O3  O 0 1 N N N N N N 8.255  -28.883 -4.374  2.679  1.441  0.066  O2  A1AGR 10 
A1AGR C3  C8  C 0 1 N N N N N N 10.757 -27.357 -6.549  4.852  3.115  -0.660 C3  A1AGR 11 
A1AGR C2  C9  C 0 1 N N N N N N 10.986 -25.883 -6.325  5.569  2.904  -2.013 C2  A1AGR 12 
A1AGR C1  C10 C 0 1 N N N N N N 9.628  -25.287 -6.576  5.561  1.404  -2.207 C1  A1AGR 13 
A1AGR C6  C11 C 0 1 N N N N N N 8.260  -29.387 -3.125  1.513  1.130  0.662  C6  A1AGR 14 
A1AGR C7  C12 C 0 1 N N S N N N 7.419  -31.220 -1.798  -0.905 0.833  0.609  C7  A1AGR 15 
A1AGR C9  C13 C 0 1 N N N N N N 4.978  -32.014 -1.972  -0.523 2.477  2.451  C9  A1AGR 16 
A1AGR N3  N1  N 0 1 N N N N N N 13.463 -28.350 -1.002  -5.222 -4.836 0.428  N3  A1AGR 17 
A1AGR N2  N2  N 0 1 N N N N N N 9.308  -31.642 -0.309  -3.133 -0.008 -0.061 N2  A1AGR 18 
A1AGR C8  C14 C 0 1 N N N N N N 6.448  -32.397 -1.877  -1.463 2.071  1.314  C8  A1AGR 19 
A1AGR O1  O4  O 0 1 N N N N N N 9.379  -24.117 -6.860  5.772  0.839  -3.260 O1  A1AGR 20 
A1AGR C10 C15 C 0 1 N N N N N N 4.102  -33.250 -2.106  -1.013 3.784  3.076  C10 A1AGR 21 
A1AGR C11 C16 C 0 1 N N N N N N 4.582  -31.217 -0.744  -0.504 1.378  3.515  C11 A1AGR 22 
A1AGR C12 C17 C 0 1 N N N N N N 8.845  -31.716 -1.563  -1.890 0.360  -0.430 C12 A1AGR 23 
A1AGR C19 C18 C 0 1 N N S N N N 10.614 -33.129 1.119   -4.815 0.738  -1.672 C19 A1AGR 24 
A1AGR C20 C19 C 0 1 N N N N N N 7.246  -26.100 -6.471  5.195  -0.666 -0.878 C20 A1AGR 25 
A1AGR C21 C20 C 0 1 N N S N N N 6.661  -26.538 -7.810  6.573  -1.227 -0.521 C21 A1AGR 26 
A1AGR C22 C21 C 0 1 N N N N N N 5.129  -26.339 -7.866  6.996  -0.772 0.896  C22 A1AGR 27 
A1AGR C23 C22 C 0 1 N N R N N N 4.937  -25.376 -9.051  7.143  -2.111 1.686  C23 A1AGR 28 
A1AGR C24 C23 C 0 1 N N N N N N 5.303  -26.200 -10.251 8.339  -2.806 1.024  C24 A1AGR 29 
A1AGR C25 C24 C 0 1 N N N N N N 6.609  -26.353 -10.254 7.979  -3.194 -0.183 C25 A1AGR 30 
A1AGR C26 C25 C 0 1 N N R N N N 7.165  -25.697 -9.025  6.519  -2.785 -0.412 C26 A1AGR 31 
A1AGR C27 C26 C 0 1 N N N N N N 6.194  -24.512 -8.948  5.967  -2.943 1.056  C27 A1AGR 32 
A1AGR C5  C27 C 0 1 N N N N N N 9.215  -27.818 -4.589  3.877  1.374  0.884  C5  A1AGR 33 
A1AGR N1  N3  N 0 1 N N N N N N 7.421  -30.432 -3.015  0.364  1.172  -0.041 N1  A1AGR 34 
A1AGR N4  N4  N 0 1 N N N N N N 8.701  -26.261 -6.398  5.288  0.787  -1.043 N4  A1AGR 35 
A1AGR O5  O5  O 0 1 N N N N N N 9.523  -32.127 -2.510  -1.564 0.311  -1.597 O5  A1AGR 36 
A1AGR O6  O6  O 0 1 N N N N N N 8.926  -28.927 -2.218  1.497  0.811  1.835  O6  A1AGR 37 
A1AGR H1  H1  H 0 1 N N N N N N 11.818 -34.327 2.089   -6.500 -0.275 -2.156 H1  A1AGR 38 
A1AGR H2  H2  H 0 1 N N N N N N 10.807 -29.594 -1.137  -3.552 -2.412 0.701  H2  A1AGR 39 
A1AGR H3  H3  H 0 1 N N N N N N 12.398 -31.151 0.965   -5.876 -1.670 -1.145 H3  A1AGR 40 
A1AGR H4  H4  H 0 1 N N N N N N 10.853 -30.290 1.280   -5.575 -0.897 0.431  H4  A1AGR 41 
A1AGR H5  H5  H 0 1 N N N N N N 11.170 -32.459 -0.839  -3.559 -1.003 -1.857 H5  A1AGR 42 
A1AGR H6  H6  H 0 1 N N N N N N 12.168 -30.922 -2.489  -4.570 -3.337 -2.007 H6  A1AGR 43 
A1AGR H7  H7  H 0 1 N N N N N N 13.372 -31.203 -1.187  -2.897 -3.362 -1.356 H7  A1AGR 44 
A1AGR H8  H8  H 0 1 N N N N N N 14.554 -29.542 -2.369  -4.515 -5.616 -1.402 H8  A1AGR 45 
A1AGR H9  H9  H 0 1 N N N N N N 13.055 -28.805 -3.029  -3.263 -5.350 -0.152 H9  A1AGR 46 
A1AGR H10 H10 H 0 1 N N N N N N 8.838  -28.383 -6.650  5.985  1.811  0.665  H10 A1AGR 47 
A1AGR H11 H11 H 0 1 N N N N N N 10.869 -27.615 -7.612  3.786  3.294  -0.806 H11 A1AGR 48 
A1AGR H12 H12 H 0 1 N N N N N N 11.456 -27.959 -5.949  5.309  3.930  -0.099 H12 A1AGR 49 
A1AGR H13 H13 H 0 1 N N N N N N 11.729 -25.486 -7.033  5.020  3.395  -2.816 H13 A1AGR 50 
A1AGR H14 H14 H 0 1 N N N N N N 11.320 -25.687 -5.295  6.591  3.279  -1.966 H14 A1AGR 51 
A1AGR H15 H15 H 0 1 N N N N N N 7.127  -30.584 -0.949  -0.739 0.042  1.339  H15 A1AGR 52 
A1AGR H16 H16 H 0 1 N N N N N N 4.836  -31.384 -2.862  0.484  2.618  2.057  H16 A1AGR 53 
A1AGR H17 H17 H 0 1 N N N N N N 14.127 -27.616 -0.857  -5.742 -5.578 0.774  H17 A1AGR 54 
A1AGR H18 H18 H 0 1 N N N N N N 8.703  -31.297 0.409   -3.393 0.031  0.873  H18 A1AGR 55 
A1AGR H19 H19 H 0 1 N N N N N N 6.583  -33.011 -0.975  -1.545 2.890  0.600  H19 A1AGR 56 
A1AGR H20 H20 H 0 1 N N N N N N 6.704  -32.991 -2.767  -2.448 1.843  1.722  H20 A1AGR 57 
A1AGR H21 H21 H 0 1 N N N N N N 3.047  -32.947 -2.173  -2.020 3.643  3.470  H21 A1AGR 58 
A1AGR H22 H22 H 0 1 N N N N N N 4.383  -33.802 -3.015  -0.343 4.074  3.886  H22 A1AGR 59 
A1AGR H23 H23 H 0 1 N N N N N N 4.243  -33.896 -1.227  -1.027 4.567  2.318  H23 A1AGR 60 
A1AGR H24 H24 H 0 1 N N N N N N 5.224  -30.327 -0.661  -1.510 1.237  3.909  H24 A1AGR 61 
A1AGR H25 H25 H 0 1 N N N N N N 3.531  -30.904 -0.833  -0.154 0.447  3.069  H25 A1AGR 62 
A1AGR H26 H26 H 0 1 N N N N N N 4.703  -31.842 0.153   0.166  1.667  4.325  H26 A1AGR 63 
A1AGR H27 H27 H 0 1 N N N N N N 9.990  -33.944 0.722   -4.101 1.358  -2.214 H27 A1AGR 64 
A1AGR S1  S1  S 0 1 N Y N N N N 10.238 -32.676 2.013   -5.576 1.711  -0.344 S1  A1AGR 65 
A1AGR H29 H29 H 0 1 N N N N N N 7.003  -25.039 -6.313  4.850  -1.115 -1.809 H29 A1AGR 66 
A1AGR H30 H30 H 0 1 N N N N N N 6.787  -26.704 -5.674  4.491  -0.897 -0.080 H30 A1AGR 67 
A1AGR H31 H31 H 0 1 N N N N N N 6.896  -27.598 -7.985  7.314  -0.920 -1.260 H31 A1AGR 68 
A1AGR H32 H32 H 0 1 N N N N N N 4.756  -25.893 -6.932  7.948  -0.241 0.860  H32 A1AGR 69 
A1AGR H33 H33 H 0 1 N N N N N N 4.614  -27.294 -8.048  6.225  -0.144 1.343  H33 A1AGR 70 
A1AGR H34 H34 H 0 1 N N N N N N 3.977  -24.840 -9.090  7.158  -2.031 2.773  H34 A1AGR 71 
A1AGR H35 H35 H 0 1 N N N N N N 4.615  -26.597 -10.983 9.312  -2.952 1.470  H35 A1AGR 72 
A1AGR H37 H37 H 0 1 N N N N N N 7.184  -26.864 -11.012 8.607  -3.712 -0.893 H37 A1AGR 73 
A1AGR H39 H39 H 0 1 N N N N N N 8.237  -25.452 -9.029  5.985  -3.319 -1.198 H39 A1AGR 74 
A1AGR H40 H40 H 0 1 N N N N N N 6.304  -23.810 -9.788  5.964  -3.981 1.390  H40 A1AGR 75 
A1AGR H41 H41 H 0 1 N N N N N N 6.261  -23.961 -7.998  4.998  -2.465 1.191  H41 A1AGR 76 
A1AGR H42 H42 H 0 1 N N N N N N 10.198 -28.116 -4.195  4.003  0.359  1.261  H42 A1AGR 77 
A1AGR H43 H43 H 0 1 N N N N N N 8.878  -26.903 -4.079  3.783  2.065  1.722  H43 A1AGR 78 
A1AGR H44 H44 H 0 1 N N N N N N 6.803  -30.664 -3.767  0.377  1.427  -0.977 H44 A1AGR 79 
A1AGR O7  O7  O 0 1 N Y N N N N ?      ?       ?       -6.568 0.948  0.329  O7  A1AGR 80 
A1AGR O9  O9  O 0 1 N Y N N N N ?      ?       ?       -4.584 2.425  0.382  O9  A1AGR 81 
A1AGR O8  O8  O 0 1 N Y N N N N ?      ?       ?       -6.362 2.793  -1.069 O8  A1AGR 82 
A1AGR H28 H28 H 0 1 N N N N N N ?      ?       ?       -6.830 3.401  -0.480 H28 A1AGR 83 
# 
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 
A1AGR C25 C24 DOUB N N 1  
A1AGR C25 C26 SING N N 2  
A1AGR C24 C23 SING N N 3  
A1AGR C23 C27 SING N N 4  
A1AGR C23 C22 SING N N 5  
A1AGR C26 C27 SING N N 6  
A1AGR C26 C21 SING N N 7  
A1AGR C22 C21 SING N N 8  
A1AGR C21 C20 SING N N 9  
A1AGR O1  C1  DOUB N N 10 
A1AGR C1  N4  SING N N 11 
A1AGR C1  C2  SING N N 12 
A1AGR C3  C2  SING N N 13 
A1AGR C3  C4  SING N N 14 
A1AGR C20 N4  SING N N 15 
A1AGR N4  C4  SING N N 16 
A1AGR C4  C5  SING N N 17 
A1AGR C5  O2  SING N N 18 
A1AGR O2  C6  SING N N 19 
A1AGR C6  N1  SING N N 20 
A1AGR C6  O6  DOUB N N 21 
A1AGR N1  C7  SING N N 22 
A1AGR O5  C12 DOUB N N 23 
A1AGR C17 C18 SING N N 24 
A1AGR C17 N3  SING N N 25 
A1AGR C10 C9  SING N N 26 
A1AGR C9  C8  SING N N 27 
A1AGR C9  C11 SING N N 28 
A1AGR C8  C7  SING N N 29 
A1AGR C7  C12 SING N N 30 
A1AGR C18 C15 SING N N 31 
A1AGR C12 N2  SING N N 32 
A1AGR N3  C16 SING N N 33 
A1AGR C15 C16 SING N N 34 
A1AGR C15 C14 SING N N 35 
A1AGR N2  C13 SING N N 36 
A1AGR C16 O3  DOUB N N 37 
A1AGR C13 C14 SING N N 38 
A1AGR C13 C19 SING N N 39 
A1AGR C19 O4  SING N N 40 
A1AGR O4  H1  SING N N 41 
A1AGR C15 H2  SING N N 42 
A1AGR C14 H3  SING N N 43 
A1AGR C14 H4  SING N N 44 
A1AGR C13 H5  SING N N 45 
A1AGR C18 H6  SING N N 46 
A1AGR C18 H7  SING N N 47 
A1AGR C17 H8  SING N N 48 
A1AGR C17 H9  SING N N 49 
A1AGR C4  H10 SING N N 50 
A1AGR C3  H11 SING N N 51 
A1AGR C3  H12 SING N N 52 
A1AGR C2  H13 SING N N 53 
A1AGR C2  H14 SING N N 54 
A1AGR C7  H15 SING N N 55 
A1AGR C9  H16 SING N N 56 
A1AGR N3  H17 SING N N 57 
A1AGR N2  H18 SING N N 58 
A1AGR C8  H19 SING N N 59 
A1AGR C8  H20 SING N N 60 
A1AGR C10 H21 SING N N 61 
A1AGR C10 H22 SING N N 62 
A1AGR C10 H23 SING N N 63 
A1AGR C11 H24 SING N N 64 
A1AGR C11 H25 SING N N 65 
A1AGR C11 H26 SING N N 66 
A1AGR C19 H27 SING N N 67 
A1AGR C19 S1  SING N N 68 
A1AGR C20 H29 SING N N 69 
A1AGR C20 H30 SING N N 70 
A1AGR C21 H31 SING N N 71 
A1AGR C22 H32 SING N N 72 
A1AGR C22 H33 SING N N 73 
A1AGR C23 H34 SING N N 74 
A1AGR C24 H35 SING N N 75 
A1AGR C25 H37 SING N N 76 
A1AGR C26 H39 SING N N 77 
A1AGR C27 H40 SING N N 78 
A1AGR C27 H41 SING N N 79 
A1AGR C5  H42 SING N N 80 
A1AGR C5  H43 SING N N 81 
A1AGR N1  H44 SING N N 82 
A1AGR S1  O7  DOUB N N 83 
A1AGR S1  O9  DOUB N N 84 
A1AGR S1  O8  SING N N 85 
A1AGR O8  H28 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 
A1AGR SMILES           ACDLabs              12.01 "O=C1NCCC1CC(NC(=O)C(CC(C)C)NC(=O)OCC1CCC(=O)N1CC1CC2CC1C=C2)C(O)S(=O)(=O)O"                                                                                                                                                                                        
A1AGR InChI            InChI                1.06  "InChI=1S/C27H42N4O9S/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/h3-4,15-22,26,35H,5-14H2,1-2H3,(H,28,33)(H,29,34)(H,30,36)(H,37,38,39)/t16-,17+,18+,19-,20+,21+,22+,26+/m1/s1" 
A1AGR InChIKey         InChI                1.06  DZWIJESAJPXJIB-XTXIHYAPSA-N                                                                                                                                                                                                                                         
A1AGR SMILES_CANONICAL CACTVS               3.385 "CC(C)C[C@H](NC(=O)OC[C@@H]1CCC(=O)N1C[C@H]2C[C@H]3C[C@@H]2C=C3)C(=O)N[C@@H](C[C@@H]4CCNC4=O)[C@@H](O)[S](O)(=O)=O"                                                                                                                                                 
A1AGR SMILES           CACTVS               3.385 "CC(C)C[CH](NC(=O)OC[CH]1CCC(=O)N1C[CH]2C[CH]3C[CH]2C=C3)C(=O)N[CH](C[CH]4CCNC4=O)[CH](O)[S](O)(=O)=O"                                                                                                                                                              
A1AGR 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)N2C[C@H]3C[C@H]4C[C@@H]3C=C4"                                                                                                                                                       
A1AGR SMILES           "OpenEye OEToolkits" 2.0.7 "CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OCC2CCC(=O)N2CC3CC4CC3C=C4"                                                                                                                                                                                        
# 
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 
A1AGR "SYSTEMATIC NAME" ACDLabs              12.01 "(1S,2S)-2-{[N-({[(2S)-1-{[(1R,2S,4R)-bicyclo[2.2.1]hept-5-en-2-yl]methyl}-5-oxopyrrolidin-2-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid"                                                          
A1AGR "SYSTEMATIC NAME" "OpenEye OEToolkits" 2.0.7 "(2~{S})-2-[[(2~{S})-2-[[(2~{S})-1-[[(1~{R},2~{S},4~{R})-2-bicyclo[2.2.1]hept-5-enyl]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 
A1AGR "Create component" 2024-02-29 RCSB 
A1AGR "Initial release"  2024-07-10 RCSB 
A1AGR "Modify PCM"       2024-09-27 PDBE 
# 
_pdbx_chem_comp_pcm.pcm_id                             1 
_pdbx_chem_comp_pcm.comp_id                            A1AGR 
_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      ? 
# 
