data_A1B7A
# 
_chem_comp.id                                    A1B7A 
_chem_comp.name                                  "(1R,2S,5S)-N-{(1S,2R)-1-hydroxy-1-(5-iodo-1,3-benzothiazol-2-yl)-3-[(3R)-2-oxopyrrolidin-3-yl]propan-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 H37 F3 I N5 O5 S" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         TKB-280-5I 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2025-03-28 
_chem_comp.pdbx_modified_date                    2025-05-30 
_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                        763.610 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     A1B7A 
_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        9NWB 
_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 
A1B7A C4  C1  C 0 1 N N N N N N -21.200 13.336 -28.766 -5.074 1.435  -2.954 C4  A1B7A 1  
A1B7A C14 C2  C 0 1 N N R N N N -17.344 12.209 -24.361 1.051  -3.548 0.118  C14 A1B7A 2  
A1B7A C5  C3  C 0 1 N N S N N N -19.912 15.291 -29.433 -4.090 1.094  -0.683 C5  A1B7A 3  
A1B7A C6  C4  C 0 1 N N N N N N -19.448 17.221 -30.857 -5.385 3.150  -0.498 C6  A1B7A 4  
A1B7A C11 C5  C 0 1 N N R N N N -19.405 16.377 -24.811 -2.831 -2.444 2.169  C11 A1B7A 5  
A1B7A C7  C6  C 0 1 N N N N N N -18.386 17.916 -31.745 -5.498 4.618  -0.178 C7  A1B7A 6  
A1B7A C8  C7  C 0 1 N N N N N N -19.078 15.078 -28.176 -2.932 0.502  0.078  C8  A1B7A 7  
A1B7A C9  C8  C 0 1 N N N N N N -20.711 16.488 -26.881 -3.969 -1.810 0.096  C9  A1B7A 8  
A1B7A C10 C9  C 0 1 N N S N N N -20.617 16.990 -25.457 -4.140 -2.651 1.379  C10 A1B7A 9  
A1B7A C12 C10 C 0 1 N N S N N N -18.785 15.419 -25.818 -1.974 -1.515 1.283  C12 A1B7A 10 
A1B7A C13 C11 C 0 1 N N N N N N -18.912 13.968 -25.371 -1.033 -2.324 0.428  C13 A1B7A 11 
A1B7A N1  N1  N 0 1 N N N N N N -19.076 16.037 -30.377 -4.200 2.522  -0.372 N1  A1B7A 12 
A1B7A N2  N2  N 0 1 N N N N N N -19.521 15.635 -27.052 -2.955 -0.798 0.435  N2  A1B7A 13 
A1B7A C3  C12 C 0 1 N N N N N N -21.569 14.233 -31.053 -3.652 -0.568 -2.497 C3  A1B7A 14 
A1B7A N3  N3  N 0 1 N N N N N N -17.819 13.537 -24.729 0.081  -2.856 0.970  N3  A1B7A 15 
A1B7A C1  C13 C 0 1 N N N N N N -19.427 13.045 -30.560 -2.615 1.702  -2.606 C1  A1B7A 16 
A1B7A C2  C14 C 0 1 N N N N N N -20.506 13.976 -29.976 -3.858 0.916  -2.185 C2  A1B7A 17 
A1B7A O1  O1  O 0 1 N N N N N N -20.528 17.766 -30.651 -6.362 2.533  -0.870 O1  A1B7A 18 
A1B7A F1  F1  F 0 1 N N N N N N -18.200 19.178 -31.466 -5.143 4.832  1.158  F1  A1B7A 19 
A1B7A F2  F2  F 0 1 N N N N N N -18.461 17.827 -33.066 -4.641 5.344  -1.011 F2  A1B7A 20 
A1B7A F3  F3  F 0 1 N N N N N N -17.217 17.365 -31.557 -6.816 5.040  -0.384 F3  A1B7A 21 
A1B7A O2  O2  O 0 1 N N N N N N -18.062 14.420 -28.217 -1.980 1.194  0.369  O2  A1B7A 22 
A1B7A O3  O3  O 0 1 N N N N N N -19.934 13.337 -25.588 -1.278 -2.497 -0.747 O3  A1B7A 23 
A1B7A C15 C15 C 0 1 N N N N N N -18.006 11.150 -25.220 0.666  -5.024 0.000  C15 A1B7A 24 
A1B7A C16 C16 C 0 1 N N R N N N -17.345 10.327 -26.326 1.595  -5.715 -1.000 C16 A1B7A 25 
A1B7A C17 C17 C 0 1 N N N N N N -18.605 10.308 -27.197 1.308  -7.233 -1.045 C17 A1B7A 26 
A1B7A C18 C18 C 0 1 N N N N N N -18.176 9.486  -28.384 0.309  -7.331 -2.220 C18 A1B7A 27 
A1B7A N4  N4  N 0 1 N N N N N N -16.732 9.693  -28.411 0.589  -6.166 -3.069 N4  A1B7A 28 
A1B7A C19 C19 C 0 1 N N N N N N -16.251 10.394 -27.395 1.307  -5.238 -2.407 C19 A1B7A 29 
A1B7A O4  O4  O 0 1 N N N N N N -15.088 10.834 -27.369 1.666  -4.177 -2.871 O4  A1B7A 30 
A1B7A C20 C20 C 0 1 N N S N N N -17.634 11.944 -22.890 2.446  -3.433 0.737  C20 A1B7A 31 
A1B7A O5  O5  O 0 1 N N N N N N -17.302 10.852 -22.431 2.473  -4.130 1.984  O5  A1B7A 32 
A1B7A C21 C21 C 0 1 Y N N N N N -18.628 12.699 -22.247 2.776  -1.980 0.967  C21 A1B7A 33 
A1B7A N5  N5  N 0 1 Y N N N N N -19.868 12.211 -22.205 3.586  -1.303 0.245  N5  A1B7A 34 
A1B7A C22 C22 C 0 1 Y N N N N N -20.776 13.098 -21.600 3.786  -0.011 0.566  C22 A1B7A 35 
A1B7A C23 C23 C 0 1 Y N N N N N -22.148 12.914 -21.415 4.612  0.952  -0.048 C23 A1B7A 36 
A1B7A C24 C24 C 0 1 Y N N N N N -22.844 13.910 -20.761 4.670  2.231  0.446  C24 A1B7A 37 
A1B7A I1  I1  I 0 1 N N N N N N -24.929 13.697 -20.467 5.904  3.647  -0.483 I1  A1B7A 38 
A1B7A C25 C25 C 0 1 Y N N N N N -22.247 15.097 -20.312 3.918  2.596  1.554  C25 A1B7A 39 
A1B7A C26 C26 C 0 1 Y N N N N N -20.891 15.294 -20.494 3.105  1.672  2.171  C26 A1B7A 40 
A1B7A C27 C27 C 0 1 Y N N N N N -20.160 14.300 -21.147 3.033  0.370  1.683  C27 A1B7A 41 
A1B7A S1  S1  S 0 1 Y N N N N N -18.453 14.266 -21.489 2.108  -1.031 2.218  S1  A1B7A 42 
A1B7A C28 C28 C 0 1 N N N N N N -19.428 17.859 -25.097 -4.157 -1.921 2.723  C28 A1B7A 43 
A1B7A C29 C29 C 0 1 N N N N N N -18.590 18.489 -26.196 -4.383 -0.407 2.701  C29 A1B7A 44 
A1B7A C30 C30 C 0 1 N N N N N N -19.572 18.777 -23.902 -4.762 -2.659 3.919  C30 A1B7A 45 
A1B7A H1  H1  H 0 1 N N N N N N -20.458 13.141 -27.978 -5.960 0.875  -2.655 H1  A1B7A 46 
A1B7A H2  H2  H 0 1 N N N N N N -21.972 14.020 -28.382 -5.221 2.492  -2.732 H2  A1B7A 47 
A1B7A H3  H3  H 0 1 N N N N N N -21.668 12.388 -29.071 -4.909 1.309  -4.024 H3  A1B7A 48 
A1B7A H4  H4  H 0 1 N N N N N N -16.256 12.156 -24.517 1.055  -3.093 -0.872 H4  A1B7A 49 
A1B7A H5  H5  H 0 1 N N N N N N -20.760 15.934 -29.154 -5.011 0.588  -0.395 H5  A1B7A 50 
A1B7A H6  H6  H 0 1 N N N N N N -19.481 16.048 -23.764 -2.326 -3.269 2.671  H6  A1B7A 51 
A1B7A H7  H7  H 0 1 N N N N N N -20.692 17.328 -27.591 -3.595 -2.431 -0.718 H7  A1B7A 52 
A1B7A H8  H8  H 0 1 N N N N N N -21.632 15.904 -27.027 -4.915 -1.347 -0.184 H8  A1B7A 53 
A1B7A H9  H9  H 0 1 N N N N N N -21.541 17.089 -24.869 -4.634 -3.619 1.287  H9  A1B7A 54 
A1B7A H10 H10 H 0 1 N N N N N N -17.723 15.668 -25.956 -1.416 -0.810 1.899  H10 A1B7A 55 
A1B7A H11 H11 H 0 1 N N N N N N -18.203 15.646 -30.668 -3.419 3.014  -0.075 H11 A1B7A 56 
A1B7A H12 H12 H 0 1 N N N N N N -22.347 14.897 -30.650 -2.820 -0.951 -1.907 H12 A1B7A 57 
A1B7A H13 H13 H 0 1 N N N N N N -21.098 14.708 -31.927 -4.559 -1.120 -2.248 H13 A1B7A 58 
A1B7A H14 H14 H 0 1 N N N N N N -22.023 13.278 -31.355 -3.433 -0.689 -3.558 H14 A1B7A 59 
A1B7A H15 H15 H 0 1 N N N N N N -17.206 14.274 -24.445 0.239  -2.781 1.924  H15 A1B7A 60 
A1B7A H16 H16 H 0 1 N N N N N N -18.657 12.852 -29.798 -2.449 1.576  -3.675 H16 A1B7A 61 
A1B7A H17 H17 H 0 1 N N N N N N -19.889 12.094 -30.864 -2.761 2.760  -2.383 H17 A1B7A 62 
A1B7A H18 H18 H 0 1 N N N N N N -18.964 13.524 -31.435 -1.748 1.333  -2.058 H18 A1B7A 63 
A1B7A H19 H19 H 0 1 N N N N N N -18.845 11.665 -25.711 0.761  -5.503 0.974  H19 A1B7A 64 
A1B7A H20 H20 H 0 1 N N N N N N -18.397 10.408 -24.508 -0.364 -5.103 -0.346 H20 A1B7A 65 
A1B7A H21 H21 H 0 1 N N N N N N -17.273 9.309  -25.914 2.638  -5.531 -0.741 H21 A1B7A 66 
A1B7A H22 H22 H 0 1 N N N N N N -18.892 11.325 -27.502 2.217  -7.796 -1.258 H22 A1B7A 67 
A1B7A H23 H23 H 0 1 N N N N N N -19.445 9.833  -26.669 0.851  -7.572 -0.115 H23 A1B7A 68 
A1B7A H24 H24 H 0 1 N N N N N N -18.646 9.850  -29.309 0.473  -8.252 -2.779 H24 A1B7A 69 
A1B7A H25 H25 H 0 1 N N N N N N -18.422 8.423  -28.241 -0.715 -7.292 -1.849 H25 A1B7A 70 
A1B7A H26 H26 H 0 1 N N N N N N -16.150 9.333  -29.140 0.294  -6.076 -3.989 H26 A1B7A 71 
A1B7A H27 H27 H 0 1 N N N N N N -22.646 12.024 -21.771 5.202  0.681  -0.911 H27 A1B7A 72 
A1B7A H28 H28 H 0 1 N N N N N N -22.844 15.854 -19.826 3.972  3.606  1.934  H28 A1B7A 73 
A1B7A H29 H29 H 0 1 N N N N N N -20.410 16.194 -20.140 2.522  1.958  3.033  H29 A1B7A 74 
A1B7A H30 H30 H 0 1 N N N N N N -17.778 19.080 -25.746 -5.357 -0.179 3.133  H30 A1B7A 75 
A1B7A H31 H31 H 0 1 N N N N N N -18.161 17.698 -26.829 -3.603 0.085  3.281  H31 A1B7A 76 
A1B7A H32 H32 H 0 1 N N N N N N -19.224 19.146 -26.810 -4.350 -0.051 1.671  H32 A1B7A 77 
A1B7A H33 H33 H 0 1 N N N N N N -20.184 18.284 -23.132 -4.963 -3.694 3.644  H33 A1B7A 78 
A1B7A H34 H34 H 0 1 N N N N N N -18.577 19.002 -23.491 -4.061 -2.634 4.753  H34 A1B7A 79 
A1B7A H35 H35 H 0 1 N N N N N N -20.060 19.712 -24.215 -5.693 -2.174 4.213  H35 A1B7A 80 
A1B7A H36 H36 H 0 1 N Y N N N N -16.779 12.519 -22.504 3.181  -3.869 0.061  H36 A1B7A 81 
A1B7A H37 H37 H 0 1 N N N N N N -17.535 10.810 -21.511 1.843  -3.794 2.636  H37 A1B7A 82 
# 
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 
A1B7A F2  C7  SING N N 1  
A1B7A C7  F3  SING N N 2  
A1B7A C7  F1  SING N N 3  
A1B7A C7  C6  SING N N 4  
A1B7A C3  C2  SING N N 5  
A1B7A C6  O1  DOUB N N 6  
A1B7A C6  N1  SING N N 7  
A1B7A C1  C2  SING N N 8  
A1B7A N1  C5  SING N N 9  
A1B7A C2  C5  SING N N 10 
A1B7A C2  C4  SING N N 11 
A1B7A C5  C8  SING N N 12 
A1B7A N4  C18 SING N N 13 
A1B7A N4  C19 SING N N 14 
A1B7A C18 C17 SING N N 15 
A1B7A O2  C8  DOUB N N 16 
A1B7A C8  N2  SING N N 17 
A1B7A C19 O4  DOUB N N 18 
A1B7A C19 C16 SING N N 19 
A1B7A C17 C16 SING N N 20 
A1B7A N2  C9  SING N N 21 
A1B7A N2  C12 SING N N 22 
A1B7A C9  C10 SING N N 23 
A1B7A C16 C15 SING N N 24 
A1B7A C29 C28 SING N N 25 
A1B7A C12 C13 SING N N 26 
A1B7A C12 C11 SING N N 27 
A1B7A O3  C13 DOUB N N 28 
A1B7A C10 C28 SING N N 29 
A1B7A C10 C11 SING N N 30 
A1B7A C13 N3  SING N N 31 
A1B7A C15 C14 SING N N 32 
A1B7A C28 C11 SING N N 33 
A1B7A C28 C30 SING N N 34 
A1B7A N3  C14 SING N N 35 
A1B7A C14 C20 SING N N 36 
A1B7A C20 O5  SING N N 37 
A1B7A C20 C21 SING N N 38 
A1B7A C21 N5  DOUB Y N 39 
A1B7A C21 S1  SING Y N 40 
A1B7A N5  C22 SING Y N 41 
A1B7A C22 C23 DOUB Y N 42 
A1B7A C22 C27 SING Y N 43 
A1B7A S1  C27 SING Y N 44 
A1B7A C23 C24 SING Y N 45 
A1B7A C27 C26 DOUB Y N 46 
A1B7A C24 I1  SING N N 47 
A1B7A C24 C25 DOUB Y N 48 
A1B7A C26 C25 SING Y N 49 
A1B7A C4  H1  SING N N 50 
A1B7A C4  H2  SING N N 51 
A1B7A C4  H3  SING N N 52 
A1B7A C14 H4  SING N N 53 
A1B7A C5  H5  SING N N 54 
A1B7A C11 H6  SING N N 55 
A1B7A C9  H7  SING N N 56 
A1B7A C9  H8  SING N N 57 
A1B7A C10 H9  SING N N 58 
A1B7A C12 H10 SING N N 59 
A1B7A N1  H11 SING N N 60 
A1B7A C3  H12 SING N N 61 
A1B7A C3  H13 SING N N 62 
A1B7A C3  H14 SING N N 63 
A1B7A N3  H15 SING N N 64 
A1B7A C1  H16 SING N N 65 
A1B7A C1  H17 SING N N 66 
A1B7A C1  H18 SING N N 67 
A1B7A C15 H19 SING N N 68 
A1B7A C15 H20 SING N N 69 
A1B7A C16 H21 SING N N 70 
A1B7A C17 H22 SING N N 71 
A1B7A C17 H23 SING N N 72 
A1B7A C18 H24 SING N N 73 
A1B7A C18 H25 SING N N 74 
A1B7A N4  H26 SING N N 75 
A1B7A C23 H27 SING N N 76 
A1B7A C25 H28 SING N N 77 
A1B7A C26 H29 SING N N 78 
A1B7A C29 H30 SING N N 79 
A1B7A C29 H31 SING N N 80 
A1B7A C29 H32 SING N N 81 
A1B7A C30 H33 SING N N 82 
A1B7A C30 H34 SING N N 83 
A1B7A C30 H35 SING N N 84 
A1B7A C20 H36 SING N N 85 
A1B7A O5  H37 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 
A1B7A SMILES           ACDLabs              14.52   "FC(F)(F)C(=O)NC(C(=O)N1CC2C(C1C(=O)NC(CC1CCNC1=O)C(O)c1nc3cc(I)ccc3s1)C2(C)C)C(C)(C)C"                                                                                                                                                                                           
A1B7A InChI            InChI                1.06    "InChI=1S/C30H37F3IN5O5S/c1-28(2,3)22(38-27(44)30(31,32)33)26(43)39-12-15-19(29(15,4)5)20(39)24(42)36-17(10-13-8-9-35-23(13)41)21(40)25-37-16-11-14(34)6-7-18(16)45-25/h6-7,11,13,15,17,19-22,40H,8-10,12H2,1-5H3,(H,35,41)(H,36,42)(H,38,44)/t13-,15+,17-,19+,20+,21+,22-/m1/s1" 
A1B7A InChIKey         InChI                1.06    AMWSCQMTJKQAAP-XSQCLQQESA-N                                                                                                                                                                                                                                                       
A1B7A 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]3CCNC3=O)[C@H](O)c4sc5ccc(I)cc5n4)C2(C)C"                                                                                                                                                              
A1B7A 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]3CCNC3=O)[CH](O)c4sc5ccc(I)cc5n4)C2(C)C"                                                                                                                                                                      
A1B7A SMILES_CANONICAL "OpenEye OEToolkits" 3.1.0.0 "CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)C(F)(F)F)C(=O)N[C@H](C[C@H]3CCNC3=O)C(c4nc5cc(ccc5s4)I)O)C"                                                                                                                                                                
A1B7A SMILES           "OpenEye OEToolkits" 3.1.0.0 "CC1(C2C1C(N(C2)C(=O)C(C(C)(C)C)NC(=O)C(F)(F)F)C(=O)NC(CC3CCNC3=O)C(c4nc5cc(ccc5s4)I)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 
A1B7A "SYSTEMATIC NAME" ACDLabs              14.52   "(1R,2S,5S)-N-{(1S,2R)-1-hydroxy-1-(5-iodo-1,3-benzothiazol-2-yl)-3-[(3R)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide"                                                             
A1B7A "SYSTEMATIC NAME" "OpenEye OEToolkits" 3.1.0.0 "(1~{R},2~{S},5~{S})-3-[(2~{S})-3,3-dimethyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]butanoyl]-~{N}-[(2~{R})-1-(5-iodanyl-1,3-benzothiazol-2-yl)-1-oxidanyl-3-[(3~{R})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-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 
A1B7A "Create component" 2025-03-28 RCSB 
A1B7A "Initial release"  2025-06-04 RCSB 
# 
_pdbx_chem_comp_synonyms.ordinal      1 
_pdbx_chem_comp_synonyms.comp_id      A1B7A 
_pdbx_chem_comp_synonyms.name         TKB-280-5I 
_pdbx_chem_comp_synonyms.provenance   AUTHOR 
_pdbx_chem_comp_synonyms.type         ? 
# 
_pdbx_chem_comp_pcm.pcm_id                             1 
_pdbx_chem_comp_pcm.comp_id                            A1B7A 
_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               C20 
_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      ? 
# 
