data_A1ISK
# 
_chem_comp.id                                    A1ISK 
_chem_comp.name                                  "methyl 2-[(1S,2S)-2-[[(2S)-4-methyl-2-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propyl]-1,3-thiazole-4-carboxylate" 
_chem_comp.type                                  non-polymer 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C31 H43 N5 O8 S" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2024-10-23 
_chem_comp.pdbx_modified_date                    2025-10-24 
_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                        645.767 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     ? 
_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        9H4B 
_chem_comp.pdbx_subcomponent_list                ? 
_chem_comp.pdbx_processing_site                  PDBE 
_chem_comp.pdbx_pcm                              ? 
# 
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 
A1ISK N1  N1  N 0 1 N N N N N N -16.210 -22.165 0.900  4.713  -0.237 0.490  N1  A1ISK 1  
A1ISK N3  N2  N 0 1 N N N N N N -13.656 -27.779 2.469  -2.360 0.504  -0.987 N3  A1ISK 2  
A1ISK C4  C1  C 0 1 Y N N N N N -17.727 -18.565 -2.545 11.330 0.409  0.542  C4  A1ISK 3  
A1ISK C5  C2  C 0 1 Y N N N N N -17.927 -19.395 -1.455 10.142 -0.112 1.017  C5  A1ISK 4  
A1ISK C6  C3  C 0 1 Y N N N N N -17.782 -18.919 -0.148 9.397  -0.968 0.228  C6  A1ISK 5  
A1ISK C7  C4  C 0 1 N N N N N N -17.919 -19.822 1.062  8.102  -1.537 0.747  C7  A1ISK 6  
A1ISK C8  C5  C 0 1 N N N N N N -17.334 -22.008 0.166  5.773  -1.016 0.786  C8  A1ISK 7  
A1ISK C10 C6  C 0 1 N N N N N N -15.069 -24.269 1.129  2.346  -0.004 0.009  C10 A1ISK 8  
A1ISK C13 C7  C 0 1 N N N N N N -13.830 -20.983 -0.500 3.360  1.341  2.445  C13 A1ISK 9  
A1ISK C15 C8  C 0 1 N N N N N N -13.914 -27.185 1.300  -1.297 0.062  -0.287 C15 A1ISK 10 
A1ISK C17 C9  C 0 1 N N N N N N -17.692 -27.138 0.899  1.489  -0.502 -2.850 C17 A1ISK 11 
A1ISK C20 C10 C 0 1 N N N N N N -18.541 -28.253 1.383  1.655  0.955  -3.288 C20 A1ISK 12 
A1ISK C21 C11 C 0 1 N N S N N N -12.372 -29.787 3.143  -4.684 -0.154 -1.368 C21 A1ISK 13 
A1ISK C22 C12 C 0 1 N N N N N N -11.754 -27.437 3.973  -4.139 1.906  -0.064 C22 A1ISK 14 
A1ISK C24 C13 C 0 1 N N S N N N -11.512 -25.969 3.640  -3.157 2.534  0.927  C24 A1ISK 15 
A1ISK C26 C14 C 0 1 N N N N N N -9.873  -24.283 3.004  -2.579 4.717  1.735  C26 A1ISK 16 
A1ISK C28 C15 C 0 1 Y N N N N N -13.056 -31.242 -0.183 -7.735 -1.320 0.284  C28 A1ISK 17 
A1ISK C1  C16 C 0 1 Y N N N N N -17.423 -17.593 0.031  9.841  -1.302 -1.038 C1  A1ISK 18 
A1ISK C2  C17 C 0 1 Y N N N N N -17.222 -16.764 -1.054 11.029 -0.780 -1.514 C2  A1ISK 19 
A1ISK C3  C18 C 0 1 Y N N N N N -17.388 -17.241 -2.342 11.771 0.080  -0.727 C3  A1ISK 20 
A1ISK O1  O1  O 0 1 N N N N N N -18.272 -21.186 0.710  7.008  -0.650 0.393  O1  A1ISK 21 
A1ISK O2  O2  O 0 1 N N N N N N -17.450 -22.474 -0.952 5.614  -2.048 1.407  O2  A1ISK 22 
A1ISK C9  C19 C 0 1 N N S N N N -15.130 -22.961 0.353  3.370  -0.635 0.917  C9  A1ISK 23 
A1ISK C11 C20 C 0 1 N N N N N N -13.790 -22.209 0.390  3.133  -0.169 2.355  C11 A1ISK 24 
A1ISK C12 C21 C 0 1 N N N N N N -12.640 -23.119 -0.008 4.106  -0.888 3.292  C12 A1ISK 25 
A1ISK O3  O3  O 0 1 N N N N N N -14.697 -24.275 2.303  2.681  0.861  -0.773 O3  A1ISK 26 
A1ISK N2  N3  N 0 1 N N N N N N -15.365 -25.382 0.445  1.059  -0.400 0.066  N2  A1ISK 27 
A1ISK C14 C22 C 0 1 N N S N N N -15.316 -26.641 1.133  0.084  0.139  -0.885 C14 A1ISK 28 
A1ISK C16 C23 C 0 1 N N N N N N -16.297 -27.571 0.456  0.126  -0.680 -2.177 C16 A1ISK 29 
A1ISK C18 C24 C 0 1 N N S N N N -12.330 -28.273 2.833  -3.696 0.478  -0.386 C18 A1ISK 30 
A1ISK O4  O4  O 0 1 N N N N N N -13.111 -27.080 0.396  -1.451 -0.397 0.825  O4  A1ISK 31 
A1ISK C19 C25 C 0 1 N N N N N N -18.352 -26.307 -0.178 1.577  -1.416 -4.074 C19 A1ISK 32 
A1ISK C23 C26 C 0 1 Y N N N N N -12.405 -30.577 1.871  -6.030 -0.294 -0.705 C23 A1ISK 33 
A1ISK C25 C27 C 0 1 N N N N N N -10.421 -25.670 2.590  -3.792 3.768  1.610  C25 A1ISK 34 
A1ISK N4  N4  N 0 1 N N N N N N -10.204 -24.215 4.427  -1.656 4.315  0.667  N4  A1ISK 35 
A1ISK C27 C28 C 0 1 N N N N N N -11.129 -25.096 4.835  -1.953 3.091  0.199  C27 A1ISK 36 
A1ISK O5  O5  O 0 1 N N N N N N -11.655 -25.141 6.001  -1.345 2.516  -0.679 O5  A1ISK 37 
A1ISK O6  O6  O 0 1 N N N N N N -11.140 -30.185 3.717  -4.806 0.678  -2.523 O6  A1ISK 38 
A1ISK N5  N5  N 0 1 Y N N N N N -13.200 -30.327 0.847  -6.524 -1.402 -0.276 N5  A1ISK 39 
A1ISK C29 C29 C 0 1 Y N N N N N -12.136 -32.175 0.046  -8.240 -0.065 0.305  C29 A1ISK 40 
A1ISK S1  S1  S 0 1 Y N N N N N -11.378 -31.975 1.584  -7.109 0.997  -0.411 S1  A1ISK 41 
A1ISK C30 C30 C 0 1 N N N N N N -13.908 -31.128 -1.405 -8.453 -2.486 0.822  C30 A1ISK 42 
A1ISK O7  O7  O 0 1 N N N N N N -14.758 -30.293 -1.563 -9.555 -2.346 1.316  O7  A1ISK 43 
A1ISK O8  O8  O 0 1 N N N N N N -13.578 -32.044 -2.307 -7.888 -3.709 0.768  O8  A1ISK 44 
A1ISK C31 C31 C 0 1 N N N N N N -14.111 -31.808 -3.631 -8.654 -4.813 1.318  C31 A1ISK 45 
A1ISK H8  H1  H 0 1 N N N N N N -16.126 -21.741 1.802  4.841  0.589  -0.002 H8  A1ISK 46 
A1ISK H19 H2  H 0 1 N N N N N N -14.404 -27.890 3.124  -2.241 0.840  -1.890 H19 A1ISK 47 
A1ISK H4  H3  H 0 1 N N N N N N -17.835 -18.950 -3.548 11.912 1.078  1.159  H4  A1ISK 48 
A1ISK H5  H4  H 0 1 N N N N N N -18.200 -20.427 -1.617 9.795  0.149  2.006  H5  A1ISK 49 
A1ISK H7  H5  H 0 1 N N N N N N -16.960 -19.835 1.601  7.932  -2.518 0.303  H7  A1ISK 50 
A1ISK H6  H6  H 0 1 N N N N N N -18.703 -19.414 1.718  8.156  -1.633 1.831  H6  A1ISK 51 
A1ISK H15 H7  H 0 1 N N N N N N -12.861 -20.465 -0.455 2.667  1.854  1.778  H15 A1ISK 52 
A1ISK H16 H8  H 0 1 N N N N N N -14.034 -21.289 -1.537 3.191  1.673  3.470  H16 A1ISK 53 
A1ISK H14 H9  H 0 1 N N N N N N -14.624 -20.305 -0.155 4.384  1.573  2.153  H14 A1ISK 54 
A1ISK H22 H10 H 0 1 N N N N N N -17.542 -26.465 1.756  2.279  -0.762 -2.145 H22 A1ISK 55 
A1ISK H29 H11 H 0 1 N N N N N N -19.525 -27.862 1.682  1.592  1.606  -2.416 H29 A1ISK 56 
A1ISK H28 H12 H 0 1 N N N N N N -18.669 -28.992 0.578  2.626  1.082  -3.767 H28 A1ISK 57 
A1ISK H27 H13 H 0 1 N N N N N N -18.059 -28.732 2.248  0.865  1.214  -3.993 H27 A1ISK 58 
A1ISK H30 H14 H 0 1 N N N N N N -13.233 -30.027 3.784  -4.322 -1.138 -1.665 H30 A1ISK 59 
A1ISK H31 H15 H 0 1 N N N N N N -12.456 -27.483 4.818  -5.136 1.887  0.375  H31 A1ISK 60 
A1ISK H32 H16 H 0 1 N N N N N N -10.793 -27.882 4.270  -4.157 2.496  -0.981 H32 A1ISK 61 
A1ISK H33 H17 H 0 1 N N N N N N -12.456 -25.570 3.240  -2.849 1.802  1.673  H33 A1ISK 62 
A1ISK H36 H18 H 0 1 N N N N N N -8.786  -24.224 2.847  -2.894 5.751  1.592  H36 A1ISK 63 
A1ISK H37 H19 H 0 1 N N N N N N -10.369 -23.477 2.443  -2.105 4.598  2.709  H37 A1ISK 64 
A1ISK H1  H20 H 0 1 N N N N N N -17.299 -17.204 1.031  9.261  -1.974 -1.654 H1  A1ISK 65 
A1ISK H2  H21 H 0 1 N N N N N N -16.933 -15.735 -0.896 11.375 -1.041 -2.503 H2  A1ISK 66 
A1ISK H3  H22 H 0 1 N N N N N N -17.253 -16.581 -3.186 12.699 0.487  -1.099 H3  A1ISK 67 
A1ISK H9  H23 H 0 1 N N N N N N -15.356 -23.198 -0.697 3.279  -1.720 0.868  H9  A1ISK 68 
A1ISK H10 H24 H 0 1 N N N N N N -13.619 -21.875 1.424  2.109  -0.400 2.648  H10 A1ISK 69 
A1ISK H12 H25 H 0 1 N N N N N N -11.696 -22.555 0.028  5.125  -0.571 3.070  H12 A1ISK 70 
A1ISK H13 H26 H 0 1 N N N N N N -12.586 -23.968 0.689  3.865  -0.641 4.325  H13 A1ISK 71 
A1ISK H11 H27 H 0 1 N N N N N N -12.805 -23.493 -1.029 4.021  -1.965 3.146  H11 A1ISK 72 
A1ISK H17 H28 H 0 1 N N N N N N -15.614 -25.337 -0.522 0.779  -1.042 0.737  H17 A1ISK 73 
A1ISK H18 H29 H 0 1 N N N N N N -15.703 -26.471 2.148  0.328  1.178  -1.106 H18 A1ISK 74 
A1ISK H21 H30 H 0 1 N N N N N N -16.204 -27.489 -0.637 -0.659 -0.336 -2.851 H21 A1ISK 75 
A1ISK H20 H31 H 0 1 N N N N N N -16.108 -28.610 0.763  -0.030 -1.733 -1.945 H20 A1ISK 76 
A1ISK H23 H32 H 0 1 N N N N N N -11.667 -28.141 1.965  -3.669 -0.110 0.532  H23 A1ISK 77 
A1ISK H26 H33 H 0 1 N N N N N N -19.355 -26.003 0.156  2.548  -1.289 -4.553 H26 A1ISK 78 
A1ISK H24 H34 H 0 1 N N N N N N -17.744 -25.412 -0.374 1.459  -2.453 -3.762 H24 A1ISK 79 
A1ISK H25 H35 H 0 1 N N N N N N -18.437 -26.902 -1.099 0.787  -1.156 -4.779 H25 A1ISK 80 
A1ISK H34 H36 H 0 1 N N N N N N -9.627  -26.430 2.624  -4.567 4.206  0.981  H34 A1ISK 81 
A1ISK H35 H37 H 0 1 N N N N N N -10.851 -25.634 1.578  -4.188 3.510  2.591  H35 A1ISK 82 
A1ISK H38 H38 H 0 1 N N N N N N -9.773  -23.561 5.049  -0.924 4.863  0.342  H38 A1ISK 83 
A1ISK H39 H39 H 0 1 N N N N N N -11.165 -31.115 3.908  -5.125 1.571  -2.332 H39 A1ISK 84 
A1ISK H40 H40 H 0 1 N N N N N N -11.892 -32.965 -0.649 -9.202 0.218  0.707  H40 A1ISK 85 
A1ISK H43 H41 H 0 1 N N N N N N -13.787 -32.614 -4.306 -8.851 -4.628 2.374  H43 A1ISK 86 
A1ISK H41 H42 H 0 1 N N N N N N -15.210 -31.788 -3.586 -9.599 -4.903 0.782  H41 A1ISK 87 
A1ISK H42 H43 H 0 1 N N N N N N -13.742 -30.843 -4.008 -8.087 -5.738 1.211  H42 A1ISK 88 
# 
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 
A1ISK C1  C2  DOUB Y N 1  
A1ISK C2  C3  SING Y N 2  
A1ISK C3  C4  DOUB Y N 3  
A1ISK C4  C5  SING Y N 4  
A1ISK C5  C6  DOUB Y N 5  
A1ISK C1  C6  SING Y N 6  
A1ISK C6  C7  SING N N 7  
A1ISK C7  O1  SING N N 8  
A1ISK O1  C8  SING N N 9  
A1ISK C8  N1  SING N N 10 
A1ISK C8  O2  DOUB N N 11 
A1ISK N1  C9  SING N N 12 
A1ISK C9  C10 SING N N 13 
A1ISK C9  C11 SING N N 14 
A1ISK C11 C12 SING N N 15 
A1ISK C11 C13 SING N N 16 
A1ISK C10 O3  DOUB N N 17 
A1ISK C10 N2  SING N N 18 
A1ISK N2  C14 SING N N 19 
A1ISK C14 C15 SING N N 20 
A1ISK C15 N3  SING N N 21 
A1ISK C14 C16 SING N N 22 
A1ISK C16 C17 SING N N 23 
A1ISK N3  C18 SING N N 24 
A1ISK C15 O4  DOUB N N 25 
A1ISK C17 C19 SING N N 26 
A1ISK C17 C20 SING N N 27 
A1ISK C18 C21 SING N N 28 
A1ISK C18 C22 SING N N 29 
A1ISK C21 C23 SING N N 30 
A1ISK C22 C24 SING N N 31 
A1ISK C24 C25 SING N N 32 
A1ISK C25 C26 SING N N 33 
A1ISK C26 N4  SING N N 34 
A1ISK N4  C27 SING N N 35 
A1ISK C24 C27 SING N N 36 
A1ISK C27 O5  DOUB N N 37 
A1ISK C21 O6  SING N N 38 
A1ISK C23 N5  DOUB Y N 39 
A1ISK N5  C28 SING Y N 40 
A1ISK C28 C29 DOUB Y N 41 
A1ISK C29 S1  SING Y N 42 
A1ISK C23 S1  SING Y N 43 
A1ISK C28 C30 SING N N 44 
A1ISK C30 O7  DOUB N N 45 
A1ISK C30 O8  SING N N 46 
A1ISK O8  C31 SING N N 47 
A1ISK N1  H8  SING N N 48 
A1ISK N3  H19 SING N N 49 
A1ISK C4  H4  SING N N 50 
A1ISK C5  H5  SING N N 51 
A1ISK C7  H7  SING N N 52 
A1ISK C7  H6  SING N N 53 
A1ISK C13 H15 SING N N 54 
A1ISK C13 H16 SING N N 55 
A1ISK C13 H14 SING N N 56 
A1ISK C17 H22 SING N N 57 
A1ISK C20 H29 SING N N 58 
A1ISK C20 H28 SING N N 59 
A1ISK C20 H27 SING N N 60 
A1ISK C21 H30 SING N N 61 
A1ISK C22 H31 SING N N 62 
A1ISK C22 H32 SING N N 63 
A1ISK C24 H33 SING N N 64 
A1ISK C26 H36 SING N N 65 
A1ISK C26 H37 SING N N 66 
A1ISK C1  H1  SING N N 67 
A1ISK C2  H2  SING N N 68 
A1ISK C3  H3  SING N N 69 
A1ISK C9  H9  SING N N 70 
A1ISK C11 H10 SING N N 71 
A1ISK C12 H12 SING N N 72 
A1ISK C12 H13 SING N N 73 
A1ISK C12 H11 SING N N 74 
A1ISK N2  H17 SING N N 75 
A1ISK C14 H18 SING N N 76 
A1ISK C16 H21 SING N N 77 
A1ISK C16 H20 SING N N 78 
A1ISK C18 H23 SING N N 79 
A1ISK C19 H26 SING N N 80 
A1ISK C19 H24 SING N N 81 
A1ISK C19 H25 SING N N 82 
A1ISK C25 H34 SING N N 83 
A1ISK C25 H35 SING N N 84 
A1ISK N4  H38 SING N N 85 
A1ISK O6  H39 SING N N 86 
A1ISK C29 H40 SING N N 87 
A1ISK C31 H43 SING N N 88 
A1ISK C31 H41 SING N N 89 
A1ISK C31 H42 SING N N 90 
# 
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 
A1ISK InChI            InChI                1.06  "InChI=1S/C31H43N5O8S/c1-17(2)13-22(34-28(40)24(18(3)4)36-31(42)44-15-19-9-7-6-8-10-19)27(39)33-21(14-20-11-12-32-26(20)38)25(37)29-35-23(16-45-29)30(41)43-5/h6-10,16-18,20-22,24-25,37H,11-15H2,1-5H3,(H,32,38)(H,33,39)(H,34,40)(H,36,42)/t20-,21-,22-,24?,25+/m0/s1" 
A1ISK InChIKey         InChI                1.06  VXGLAHXNQFYSAB-ZLCZASCPSA-N                                                                                                                                                                                                                                              
A1ISK SMILES_CANONICAL CACTVS               3.385 "COC(=O)c1csc(n1)[C@@H](O)[C@H](C[C@@H]2CCNC2=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)OCc3ccccc3)C(C)C"                                                                                                                                                                  
A1ISK SMILES           CACTVS               3.385 "COC(=O)c1csc(n1)[CH](O)[CH](C[CH]2CCNC2=O)NC(=O)[CH](CC(C)C)NC(=O)[CH](NC(=O)OCc3ccccc3)C(C)C"                                                                                                                                                                          
A1ISK SMILES_CANONICAL "OpenEye OEToolkits" 2.0.7 "CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@@H](c2nc(cs2)C(=O)OC)O)NC(=O)[C@H](C(C)C)NC(=O)OCc3ccccc3"                                                                                                                                                                 
A1ISK SMILES           "OpenEye OEToolkits" 2.0.7 "CC(C)CC(C(=O)NC(CC1CCNC1=O)C(c2nc(cs2)C(=O)OC)O)NC(=O)C(C(C)C)NC(=O)OCc3ccccc3"                                                                                                                                                                                         
# 
_pdbx_chem_comp_identifier.comp_id           A1ISK 
_pdbx_chem_comp_identifier.type              "SYSTEMATIC NAME" 
_pdbx_chem_comp_identifier.program           "OpenEye OEToolkits" 
_pdbx_chem_comp_identifier.program_version   2.0.7 
_pdbx_chem_comp_identifier.identifier        "methyl 2-[(1~{S},2~{S})-2-[[(2~{S})-4-methyl-2-[[(2~{S})-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propyl]-1,3-thiazole-4-carboxylate" 
# 
loop_
_pdbx_chem_comp_audit.comp_id 
_pdbx_chem_comp_audit.action_type 
_pdbx_chem_comp_audit.date 
_pdbx_chem_comp_audit.processing_site 
A1ISK "Create component" 2024-10-23 PDBE 
A1ISK "Initial release"  2025-10-29 RCSB 
# 
_pdbx_chem_comp_pcm.pcm_id                             1 
_pdbx_chem_comp_pcm.comp_id                            A1ISK 
_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               C21 
_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      ? 
# 
