data_X6T
# 
_chem_comp.id                                    X6T 
_chem_comp.name                                  "(1R,2S,5S)-N-{(2S,3R)-4-(3,3-dimethylazetidin-1-yl)-3-hydroxy-4-oxo-1-[(3S)-2-oxopiperidin-3-yl]butan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide" 
_chem_comp.type                                  non-polymer 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C30 H46 F3 N5 O6" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2022-11-02 
_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                        629.711 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     X6T 
_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        8F02 
_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_backbone_atom_flag 
_chem_comp_atom.pdbx_n_terminal_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 
X6T N1  N1  N 0 1 N N N N N N -19.752 15.746 -26.695 -1.519 0.927  -0.274 N1  X6T 1  
X6T N3  N2  N 0 1 N N N N N N -18.211 13.416 -24.635 1.984  0.465  -1.381 N3  X6T 2  
X6T C4  C1  C 0 1 N N S N N N -20.853 17.180 -25.182 -0.834 3.114  0.420  C4  X6T 3  
X6T C5  C2  C 0 1 N N N N N N -19.618 17.901 -24.692 -1.419 3.660  -0.884 C5  X6T 4  
X6T C6  C3  C 0 1 N N N N N N -18.662 18.446 -25.732 -2.726 3.042  -1.384 C6  X6T 5  
X6T C7  C4  C 0 1 N N N N N N -19.737 18.802 -23.477 -1.249 5.155  -1.161 C7  X6T 6  
X6T C8  C5  C 0 1 N N N N N N -20.933 16.616 -26.579 -1.359 1.759  0.942  C8  X6T 7  
X6T C10 C6  C 0 1 N N S N N N -20.085 15.363 -29.073 -3.570 -0.236 0.473  C10 X6T 8  
X6T C13 C7  C 0 1 N N N N N N -21.606 14.492 -30.818 -1.872 -0.974 2.150  C13 X6T 9  
X6T C15 C8  C 0 1 N N N N N N -19.422 17.217 -30.517 -5.999 -0.420 0.419  C15 X6T 10 
X6T C17 C9  C 0 1 N N S N N N -18.182 12.073 -24.078 3.131  -0.338 -0.949 C17 X6T 11 
X6T C20 C10 C 0 1 N N N N N N -20.750 11.978 -21.239 4.933  3.112  1.146  C20 X6T 12 
X6T C21 C11 C 0 1 N N N N N N -21.738 10.805 -20.998 4.380  2.270  2.310  C21 X6T 13 
X6T C22 C12 C 0 1 N N N N N N -22.721 10.586 -22.141 2.861  2.359  2.469  C22 X6T 14 
X6T C24 C13 C 0 1 N N N N N N -20.531 9.839  -20.968 4.849  1.040  1.511  C24 X6T 15 
X6T C26 C14 C 0 1 N N S N N N -17.527 11.054 -26.343 4.129  -2.628 -0.946 C26 X6T 16 
X6T C28 C15 C 0 1 N N N N N N -19.104 9.911  -27.981 5.075  -4.926 -0.908 C28 X6T 17 
X6T C1  C16 C 0 1 N N N N N N -19.308 13.981 -25.131 0.880  0.532  -0.612 C1  X6T 18 
X6T O1  O1  O 0 1 N N N N N N -20.351 13.368 -25.362 0.868  0.002  0.479  O1  X6T 19 
X6T C2  C17 C 0 1 N N S N N N -19.107 15.459 -25.432 -0.341 1.264  -1.106 C2  X6T 20 
X6T N2  N3  N 0 1 N N N N N N -19.193 16.016 -30.019 -4.818 -0.602 -0.203 N2  X6T 21 
X6T O2  O2  O 0 1 N N N N N N -20.340 17.963 -30.263 -6.030 0.046  1.538  O2  X6T 22 
X6T C3  C18 C 0 1 N N R N N N -19.777 16.419 -24.450 -0.163 2.788  -0.930 C3  X6T 23 
X6T O3  O3  O 0 1 N N N N N N -18.163 14.643 -27.814 -2.544 -0.492 -1.637 O3  X6T 24 
X6T N4  N4  N 0 1 N N N N N N -19.694 10.963 -21.431 4.752  1.904  0.318  N4  X6T 25 
X6T O4  O4  O 0 1 N N N N N N -17.749 10.013 -21.965 4.533  2.613  -1.773 O4  X6T 26 
X6T N5  N5  N 0 1 N N N N N N -16.705 9.379  -27.934 4.196  -3.960 1.168  N5  X6T 27 
X6T O5  O5  O 0 1 N N N N N N -18.667 13.388 -22.070 4.358  0.284  -2.936 O5  X6T 28 
X6T O6  O6  O 0 1 N N N N N N -15.222 10.643 -26.817 3.672  -1.838 1.203  O6  X6T 29 
X6T C9  C19 C 0 1 N N N N N N -19.249 15.206 -27.803 -2.508 0.056  -0.555 C9  X6T 30 
X6T C11 C20 C 0 1 N N N N N N -20.726 14.064 -29.636 -3.114 -1.394 1.362  C11 X6T 31 
X6T C12 C21 C 0 1 N N N N N N -19.695 13.026 -30.099 -4.235 -1.762 2.336  C12 X6T 32 
X6T C14 C22 C 0 1 N N N N N N -21.614 13.414 -28.578 -2.778 -2.606 0.490  C14 X6T 33 
X6T C16 C23 C 0 1 N N N N N N -18.371 17.669 -31.516 -7.282 -0.796 -0.276 C16 X6T 34 
X6T C18 C24 C 0 1 N N R N N N -17.941 12.265 -22.560 4.419  0.270  -1.509 C18 X6T 35 
X6T C19 C25 C 0 1 N N N N N N -18.457 10.996 -21.920 4.572  1.680  -0.999 C19 X6T 36 
X6T C23 C26 C 0 1 N N N N N N -22.462 10.837 -19.660 5.132  2.471  3.628  C23 X6T 37 
X6T C25 C27 C 0 1 N N N N N N -17.169 11.222 -24.858 2.975  -1.769 -1.467 C25 X6T 38 
X6T C27 C28 C 0 1 N N N N N N -18.913 10.421 -26.568 4.096  -3.995 -1.634 C27 X6T 39 
X6T C29 C29 C 0 1 N N N N N N -18.036 8.883  -28.281 4.536  -5.205 0.495  C29 X6T 40 
X6T C30 C30 C 0 1 N N N N N N -16.404 10.333 -27.053 3.989  -2.802 0.539  C30 X6T 41 
X6T F1  F1  F 0 1 N N N N N N -18.408 16.925 -32.615 -7.266 -2.162 -0.579 F1  X6T 42 
X6T F2  F2  F 0 1 N N N N N N -17.159 17.479 -31.018 -8.366 -0.517 0.563  F2  X6T 43 
X6T F3  F3  F 0 1 N N N N N N -18.527 18.950 -31.760 -7.406 -0.058 -1.459 F3  X6T 44 
X6T H1  H1  H 0 1 N N N N N N -17.361 13.943 -24.646 2.020  0.949  -2.221 H1  X6T 45 
X6T H2  H2  H 0 1 N N N N N N -21.798 17.368 -24.651 -0.382 3.800  1.136  H2  X6T 46 
X6T H3  H3  H 0 1 N N N N N N -17.817 18.941 -25.231 -3.529 3.774  -1.304 H3  X6T 47 
X6T H4  H4  H 0 1 N N N N N N -18.287 17.620 -26.353 -2.610 2.742  -2.426 H4  X6T 48 
X6T H5  H5  H 0 1 N N N N N N -19.188 19.173 -26.368 -2.969 2.168  -0.780 H5  X6T 49 
X6T H6  H6  H 0 1 N N N N N N -20.441 18.358 -22.758 -0.580 5.589  -0.418 H6  X6T 50 
X6T H7  H7  H 0 1 N N N N N N -18.750 18.911 -23.003 -0.827 5.295  -2.156 H7  X6T 51 
X6T H8  H8  H 0 1 N N N N N N -20.105 19.791 -23.788 -2.220 5.647  -1.106 H8  X6T 52 
X6T H9  H9  H 0 1 N N N N N N -20.896 17.422 -27.326 -2.319 1.890  1.441  H9  X6T 53 
X6T H10 H10 H 0 1 N N N N N N -21.858 16.035 -26.711 -0.635 1.306  1.620  H10 X6T 54 
X6T H11 H11 H 0 1 N N N N N N -20.908 16.055 -28.841 -3.736 0.650  1.087  H11 X6T 55 
X6T H12 H12 H 0 1 N N N N N N -22.342 15.236 -30.478 -2.129 -0.158 2.826  H12 X6T 56 
X6T H13 H13 H 0 1 N N N N N N -20.975 14.933 -31.604 -1.503 -1.821 2.728  H13 X6T 57 
X6T H14 H14 H 0 1 N N N N N N -22.132 13.614 -31.220 -1.097 -0.642 1.458  H14 X6T 58 
X6T H15 H15 H 0 1 N N N N N N -19.174 11.615 -24.203 3.177  -0.348 0.140  H15 X6T 59 
X6T H16 H16 H 0 1 N N N N N N -20.600 12.637 -20.371 4.287  3.942  0.859  H16 X6T 60 
X6T H17 H17 H 0 1 N N N N N N -20.969 12.587 -22.129 5.974  3.408  1.274  H17 X6T 61 
X6T H18 H18 H 0 1 N N N N N N -23.384 9.743  -21.898 2.379  2.007  1.556  H18 X6T 62 
X6T H19 H19 H 0 1 N N N N N N -23.322 11.495 -22.287 2.546  1.740  3.308  H19 X6T 63 
X6T H20 H20 H 0 1 N N N N N N -22.166 10.362 -23.064 2.576  3.395  2.654  H20 X6T 64 
X6T H21 H21 H 0 1 N N N N N N -20.600 8.998  -21.674 5.866  0.726  1.744  H21 X6T 65 
X6T H22 H22 H 0 1 N N N N N N -20.274 9.458  -19.968 4.136  0.215  1.516  H22 X6T 66 
X6T H23 H23 H 0 1 N N N N N N -17.574 12.067 -26.770 5.076  -2.135 -1.165 H23 X6T 67 
X6T H24 H24 H 0 1 N N N N N N -19.020 10.748 -28.690 5.164  -5.863 -1.458 H24 X6T 68 
X6T H25 H25 H 0 1 N N N N N N -20.098 9.449  -28.075 6.052  -4.448 -0.839 H25 X6T 69 
X6T H26 H26 H 0 1 N N N N N N -18.031 15.681 -25.487 -0.532 1.020  -2.151 H26 X6T 70 
X6T H27 H27 H 0 1 N N N N N N -18.366 15.532 -30.306 -4.793 -0.974 -1.098 H27 X6T 71 
X6T H28 H28 H 0 1 N N N N N N -19.977 16.067 -23.427 0.789  3.232  -1.221 H28 X6T 72 
X6T H29 H29 H 0 1 N N N N N N -15.935 8.955  -28.411 4.115  -3.974 2.134  H29 X6T 73 
X6T H30 H30 H 0 1 N N N N N N -18.506 13.488 -21.139 3.621  0.799  -3.293 H30 X6T 74 
X6T H31 H31 H 0 1 N N N N N N -19.069 12.725 -29.246 -4.474 -0.900 2.958  H31 X6T 75 
X6T H32 H32 H 0 1 N N N N N N -20.217 12.145 -30.500 -5.120 -2.062 1.775  H32 X6T 76 
X6T H33 H33 H 0 1 N N N N N N -19.060 13.464 -30.883 -3.910 -2.588 2.970  H33 X6T 77 
X6T H34 H34 H 0 1 N N N N N N -20.997 13.101 -27.723 -2.453 -3.431 1.123  H34 X6T 78 
X6T H35 H35 H 0 1 N N N N N N -22.370 14.137 -28.239 -3.663 -2.905 -0.072 H35 X6T 79 
X6T H36 H36 H 0 1 N N N N N N -22.115 12.535 -29.010 -1.979 -2.343 -0.204 H36 X6T 80 
X6T H37 H37 H 0 1 N N N N N N -16.863 12.372 -22.369 5.272  -0.327 -1.187 H37 X6T 81 
X6T H38 H38 H 0 1 N N N N N N -21.733 10.996 -18.852 5.069  3.517  3.926  H38 X6T 82 
X6T H39 H39 H 0 1 N N N N N N -23.195 11.657 -19.659 4.686  1.845  4.400  H39 X6T 83 
X6T H40 H40 H 0 1 N N N N N N -22.982 9.881  -19.502 6.178  2.194  3.495  H40 X6T 84 
X6T H41 H41 H 0 1 N N N N N N -17.122 10.225 -24.396 2.028  -2.181 -1.118 H41 X6T 85 
X6T H42 H42 H 0 1 N N N N N N -16.183 11.704 -24.790 2.989  -1.764 -2.557 H42 X6T 86 
X6T H43 H43 H 0 1 N N N N N N -19.683 11.179 -26.361 3.089  -4.408 -1.581 H43 X6T 87 
X6T H44 H44 H 0 1 N N N N N N -19.031 9.578  -25.871 4.395  -3.888 -2.676 H44 X6T 88 
X6T H45 H45 H 0 1 N N N N N N -18.242 7.973  -27.699 3.645  -5.828 0.422  H45 X6T 89 
X6T H46 H46 H 0 1 N N N N N N -18.060 8.645  -29.355 5.294  -5.733 1.074  H46 X6T 90 
# 
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 
X6T F1  C16 SING N N 1  
X6T F3  C16 SING N N 2  
X6T C16 F2  SING N N 3  
X6T C16 C15 SING N N 4  
X6T C13 C11 SING N N 5  
X6T C15 O2  DOUB N N 6  
X6T C15 N2  SING N N 7  
X6T C12 C11 SING N N 8  
X6T N2  C10 SING N N 9  
X6T C11 C10 SING N N 10 
X6T C11 C14 SING N N 11 
X6T C10 C9  SING N N 12 
X6T C29 C28 SING N N 13 
X6T C29 N5  SING N N 14 
X6T C28 C27 SING N N 15 
X6T N5  C30 SING N N 16 
X6T O3  C9  DOUB N N 17 
X6T C9  N1  SING N N 18 
X6T C30 O6  DOUB N N 19 
X6T C30 C26 SING N N 20 
X6T N1  C8  SING N N 21 
X6T N1  C2  SING N N 22 
X6T C8  C4  SING N N 23 
X6T C27 C26 SING N N 24 
X6T C26 C25 SING N N 25 
X6T C6  C5  SING N N 26 
X6T C2  C1  SING N N 27 
X6T C2  C3  SING N N 28 
X6T O1  C1  DOUB N N 29 
X6T C4  C5  SING N N 30 
X6T C4  C3  SING N N 31 
X6T C1  N3  SING N N 32 
X6T C25 C17 SING N N 33 
X6T C5  C3  SING N N 34 
X6T C5  C7  SING N N 35 
X6T N3  C17 SING N N 36 
X6T C17 C18 SING N N 37 
X6T C18 O5  SING N N 38 
X6T C18 C19 SING N N 39 
X6T C22 C21 SING N N 40 
X6T O4  C19 DOUB N N 41 
X6T C19 N4  SING N N 42 
X6T N4  C20 SING N N 43 
X6T N4  C24 SING N N 44 
X6T C20 C21 SING N N 45 
X6T C21 C24 SING N N 46 
X6T C21 C23 SING N N 47 
X6T N3  H1  SING N N 48 
X6T C4  H2  SING N N 49 
X6T C6  H3  SING N N 50 
X6T C6  H4  SING N N 51 
X6T C6  H5  SING N N 52 
X6T C7  H6  SING N N 53 
X6T C7  H7  SING N N 54 
X6T C7  H8  SING N N 55 
X6T C8  H9  SING N N 56 
X6T C8  H10 SING N N 57 
X6T C10 H11 SING N N 58 
X6T C13 H12 SING N N 59 
X6T C13 H13 SING N N 60 
X6T C13 H14 SING N N 61 
X6T C17 H15 SING N N 62 
X6T C20 H16 SING N N 63 
X6T C20 H17 SING N N 64 
X6T C22 H18 SING N N 65 
X6T C22 H19 SING N N 66 
X6T C22 H20 SING N N 67 
X6T C24 H21 SING N N 68 
X6T C24 H22 SING N N 69 
X6T C26 H23 SING N N 70 
X6T C28 H24 SING N N 71 
X6T C28 H25 SING N N 72 
X6T C2  H26 SING N N 73 
X6T N2  H27 SING N N 74 
X6T C3  H28 SING N N 75 
X6T N5  H29 SING N N 76 
X6T O5  H30 SING N N 77 
X6T C12 H31 SING N N 78 
X6T C12 H32 SING N N 79 
X6T C12 H33 SING N N 80 
X6T C14 H34 SING N N 81 
X6T C14 H35 SING N N 82 
X6T C14 H36 SING N N 83 
X6T C18 H37 SING N N 84 
X6T C23 H38 SING N N 85 
X6T C23 H39 SING N N 86 
X6T C23 H40 SING N N 87 
X6T C25 H41 SING N N 88 
X6T C25 H42 SING N N 89 
X6T C27 H43 SING N N 90 
X6T C27 H44 SING N N 91 
X6T C29 H45 SING N N 92 
X6T C29 H46 SING N N 93 
# 
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 
X6T SMILES           ACDLabs              12.01 "CC1(C)C2C(C(=O)NC(CC3CCCNC3=O)C(O)C(=O)N3CC(C)(C)C3)N(CC21)C(=O)C(NC(=O)C(F)(F)F)C(C)(C)C"                                                                                                                                                            
X6T InChI            InChI                1.06  "InChI=1S/C30H46F3N5O6/c1-27(2,3)21(36-26(44)30(31,32)33)25(43)38-12-16-18(29(16,6)7)19(38)23(41)35-17(11-15-9-8-10-34-22(15)40)20(39)24(42)37-13-28(4,5)14-37/h15-21,39H,8-14H2,1-7H3,(H,34,40)(H,35,41)(H,36,44)/t15-,16-,17-,18-,19-,20+,21+/m0/s1" 
X6T InChIKey         InChI                1.06  KOJLJTKYOSKMNV-YTNBPZCUSA-N                                                                                                                                                                                                                            
X6T SMILES_CANONICAL CACTVS               3.385 "CC(C)(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](C[C@@H]3CCCNC3=O)[C@@H](O)C(=O)N4CC(C)(C)C4)C2(C)C"                                                                                                                              
X6T SMILES           CACTVS               3.385 "CC(C)(C)[CH](NC(=O)C(F)(F)F)C(=O)N1C[CH]2[CH]([CH]1C(=O)N[CH](C[CH]3CCCNC3=O)[CH](O)C(=O)N4CC(C)(C)C4)C2(C)C"                                                                                                                                         
X6T SMILES_CANONICAL "OpenEye OEToolkits" 2.0.7 "CC1(CN(C1)C(=O)[C@@H]([C@H](C[C@@H]2CCCNC2=O)NC(=O)[C@@H]3[C@@H]4[C@@H](C4(C)C)CN3C(=O)[C@H](C(C)(C)C)NC(=O)C(F)(F)F)O)C"                                                                                                                             
X6T SMILES           "OpenEye OEToolkits" 2.0.7 "CC1(CN(C1)C(=O)C(C(CC2CCCNC2=O)NC(=O)C3C4C(C4(C)C)CN3C(=O)C(C(C)(C)C)NC(=O)C(F)(F)F)O)C"                                                                                                                                                              
# 
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 
X6T "SYSTEMATIC NAME" ACDLabs              12.01 "(1R,2S,5S)-N-{(2S,3R)-4-(3,3-dimethylazetidin-1-yl)-3-hydroxy-4-oxo-1-[(3S)-2-oxopiperidin-3-yl]butan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide"                                                                          
X6T "SYSTEMATIC NAME" "OpenEye OEToolkits" 2.0.7 "(1~{R},2~{S},5~{S})-~{N}-[(2~{S},3~{R})-4-(3,3-dimethylazetidin-1-yl)-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepiperidin-3-yl]butan-2-yl]-3-[(2~{S})-3,3-dimethyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide" 
# 
loop_
_pdbx_chem_comp_audit.comp_id 
_pdbx_chem_comp_audit.action_type 
_pdbx_chem_comp_audit.date 
_pdbx_chem_comp_audit.processing_site 
X6T "Create component" 2022-11-02 RCSB 
X6T "Initial release"  2023-10-11 RCSB 
X6T "Modify PCM"       2024-09-27 PDBE 
# 
_pdbx_chem_comp_pcm.pcm_id                             1 
_pdbx_chem_comp_pcm.comp_id                            X6T 
_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               C18 
_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      ? 
# 
