data_A1ARK
# 
_chem_comp.id                                    A1ARK 
_chem_comp.name                                  "O-tert-butyl-N-[(2,2,2-trifluoroethoxy)carbonyl]-L-threonyl-3-cyclohexyl-N-{(2R)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide" 
_chem_comp.type                                  non-polymer 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C27 H45 F3 N4 O7" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2024-05-13 
_chem_comp.pdbx_modified_date                    2025-05-09 
_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                        594.664 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     A1ARK 
_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        9BQN 
_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 
A1ARK N    N1  N 0 1 N N N N N N -9.712  -15.498 -17.798 0.070  -0.315 1.093  N    A1ARK 1  
A1ARK C    C1  C 0 1 N N S N N N -10.142 -17.827 -18.099 2.505  0.103  0.974  C    A1ARK 2  
A1ARK O    O1  O 0 1 N N N N N N -11.044 -16.548 -16.306 1.202  -0.888 -0.727 O    A1ARK 3  
A1ARK C1   C2  C 0 1 N N N N N N -10.333 -16.569 -17.315 1.213  -0.403 0.385  C1   A1ARK 4  
A1ARK C10  C3  C 0 1 N N N N N N -14.930 -15.883 -14.937 -6.034 1.785  -2.112 C10  A1ARK 5  
A1ARK C11  C4  C 0 1 N N N N N N -9.123  -13.172 -18.027 -1.176 -2.409 0.882  C11  A1ARK 6  
A1ARK C12  C5  C 0 1 N N N N N N -7.760  -12.784 -17.442 -2.444 -3.039 0.302  C12  A1ARK 7  
A1ARK C13  C6  C 0 1 N N R N N N -11.550 -18.359 -18.373 2.375  1.596  1.283  C13  A1ARK 8  
A1ARK C14  C7  C 0 1 N N N N N N -12.342 -17.361 -19.240 3.723  2.137  1.763  C14  A1ARK 9  
A1ARK C15  C8  C 0 1 N N N N N N -8.193  -19.233 -17.753 4.863  -0.215 0.451  C15  A1ARK 10 
A1ARK C16  C9  C 0 1 N N N N N N -5.810  -19.399 -16.949 7.206  -0.516 0.110  C16  A1ARK 11 
A1ARK C17  C10 C 0 1 N N N N N N -12.045 -20.419 -19.832 1.079  3.380  0.343  C17  A1ARK 12 
A1ARK C18  C11 C 0 1 N N N N N N -13.568 -20.310 -19.887 1.704  4.340  1.357  C18  A1ARK 13 
A1ARK C19  C12 C 0 1 N N N N N N -11.778 -21.895 -19.588 -0.240 2.840  0.898  C19  A1ARK 14 
A1ARK C2   C13 C 0 1 N N S N N N -9.967  -14.182 -17.238 -1.163 -0.911 0.571  C2   A1ARK 15 
A1ARK C20  C14 C 0 1 N N N N N N -11.360 -19.944 -21.115 0.814  4.124  -0.968 C20  A1ARK 16 
A1ARK C21  C15 C 0 1 N N N N N N -6.819  -12.548 -18.628 -2.537 -4.500 0.746  C21  A1ARK 17 
A1ARK C22  C16 C 0 1 N N N N N N -5.360  -12.295 -18.227 -3.805 -5.130 0.166  C22  A1ARK 18 
A1ARK C23  C17 C 0 1 N N N N N N -4.827  -13.417 -17.348 -3.754 -5.063 -1.362 C23  A1ARK 19 
A1ARK C24  C18 C 0 1 N N N N N N -5.720  -13.551 -16.115 -3.661 -3.602 -1.806 C24  A1ARK 20 
A1ARK C25  C19 C 0 1 N N N N N N -7.178  -13.843 -16.500 -2.394 -2.972 -1.226 C25  A1ARK 21 
A1ARK C27  C20 C 0 1 N N N N N N -5.944  -20.352 -15.752 8.201  -0.728 -1.033 C27  A1ARK 22 
A1ARK C3   C21 C 0 1 N N N N N N -11.430 -13.829 -17.351 -2.353 -0.252 1.219  C3   A1ARK 23 
A1ARK C4   C22 C 0 1 N N S N N N -13.369 -12.729 -16.454 -4.704 0.388  1.210  C4   A1ARK 24 
A1ARK C5   C23 C 0 1 N N N N N N -13.498 -11.339 -15.841 -5.366 -0.439 2.314  C5   A1ARK 25 
A1ARK C6   C24 C 0 1 N N N N N N -14.336 -13.626 -15.688 -5.722 0.669  0.103  C6   A1ARK 26 
A1ARK C7   C25 C 0 1 N N S N N N -14.163 -15.102 -15.974 -5.102 1.607  -0.934 C7   A1ARK 27 
A1ARK C8   C26 C 0 1 N N N N N N -14.833 -15.469 -17.288 -4.949 3.032  -0.353 C8   A1ARK 28 
A1ARK C9   C27 C 0 1 N N N N N N -15.818 -16.580 -16.938 -5.258 3.909  -1.587 C9   A1ARK 29 
A1ARK F1   F1  F 0 1 N N N N N N -4.875  -20.270 -14.966 8.140  0.359  -1.911 F1   A1ARK 30 
A1ARK F2   F2  F 0 1 N N N N N N -6.099  -21.583 -16.247 9.495  -0.835 -0.512 F2   A1ARK 31 
A1ARK F3   F3  F 0 1 N N N N N N -6.972  -20.014 -14.980 7.877  -1.902 -1.722 F3   A1ARK 32 
A1ARK N1   N2  N 0 1 N N N N N N -11.986 -13.162 -16.344 -3.572 -0.357 0.654  N1   A1ARK 33 
A1ARK N2   N3  N 0 1 N N N N N N -15.939 -16.529 -15.492 -6.103 3.082  -2.456 N2   A1ARK 34 
A1ARK N3   N4  N 0 1 N N N N N N -9.375  -18.798 -17.351 3.593  -0.104 0.015  N3   A1ARK 35 
A1ARK O1   O2  O 0 1 N N N N N N -12.113 -14.152 -18.321 -2.214 0.373  2.249  O1   A1ARK 36 
A1ARK O2   O3  O 0 1 N N N N N N -14.725 -10.719 -16.223 -5.933 -1.622 1.748  O2   A1ARK 37 
A1ARK O3   O4  O 0 1 N N N N N N -14.617 -15.921 -13.752 -6.629 0.886  -2.669 O3   A1ARK 38 
A1ARK O4   O5  O 0 1 N N N N N N -11.445 -19.764 -18.717 1.975  2.294  0.101  O4   A1ARK 39 
A1ARK O5   O6  O 0 1 N N N N N N -7.023  -18.649 -17.115 5.863  -0.406 -0.430 O5   A1ARK 40 
A1ARK O6   O7  O 0 1 N N N N N N -8.048  -20.080 -18.635 5.106  -0.144 1.639  O6   A1ARK 41 
A1ARK HN   H1  H 0 1 N N N N N N -9.064  -15.599 -18.553 0.064  0.139  1.950  HN   A1ARK 42 
A1ARK H0   H2  H 0 1 N N N N N N -9.647  -17.599 -19.054 2.722  -0.441 1.893  H0   A1ARK 43 
A1ARK H111 H3  H 0 0 N N N N N N -8.945  -13.599 -19.025 -1.159 -2.556 1.962  H111 A1ARK 44 
A1ARK H112 H4  H 0 0 N N N N N N -9.716  -12.250 -18.123 -0.300 -2.881 0.438  H112 A1ARK 45 
A1ARK H12  H5  H 0 1 N N N N N N -7.871  -11.841 -16.887 -3.318 -2.494 0.660  H12  A1ARK 46 
A1ARK H13  H6  H 0 1 N N N N N N -12.052 -18.333 -17.395 1.626  1.742  2.061  H13  A1ARK 47 
A1ARK H142 H7  H 0 0 N N N N N N -13.351 -17.758 -19.428 3.608  3.176  2.071  H142 A1ARK 48 
A1ARK H143 H8  H 0 0 N N N N N N -12.419 -16.398 -18.713 4.071  1.544  2.609  H143 A1ARK 49 
A1ARK H141 H9  H 0 0 N N N N N N -11.822 -17.214 -20.198 4.449  2.075  0.953  H141 A1ARK 50 
A1ARK H162 H10 H 0 0 N N N N N N -5.615  -19.983 -17.860 7.254  -1.364 0.794  H162 A1ARK 51 
A1ARK H16  H11 H 0 1 N N N N N N -4.974  -18.706 -16.772 7.459  0.398  0.647  H16  A1ARK 52 
A1ARK H183 H12 H 0 0 N N N N N N -13.942 -20.841 -20.775 2.659  4.701  0.975  H183 A1ARK 53 
A1ARK H182 H13 H 0 0 N N N N N N -14.001 -20.760 -18.981 1.034  5.186  1.518  H182 A1ARK 54 
A1ARK H181 H14 H 0 0 N N N N N N -13.858 -19.250 -19.945 1.863  3.819  2.301  H181 A1ARK 55 
A1ARK H193 H15 H 0 0 N N N N N N -12.210 -22.487 -20.408 -0.052 2.310  1.832  H193 A1ARK 56 
A1ARK H191 H16 H 0 0 N N N N N N -10.693 -22.069 -19.543 -0.924 3.669  1.082  H191 A1ARK 57 
A1ARK H192 H17 H 0 0 N N N N N N -12.238 -22.198 -18.636 -0.685 2.156  0.175  H192 A1ARK 58 
A1ARK H2   H18 H 0 1 N N N N N N -9.665  -14.154 -16.181 -1.209 -0.764 -0.508 H2   A1ARK 59 
A1ARK H202 H19 H 0 0 N N N N N N -11.816 -20.444 -21.982 0.370  3.440  -1.690 H202 A1ARK 60 
A1ARK H203 H20 H 0 0 N N N N N N -11.482 -18.855 -21.214 0.131  4.953  -0.783 H203 A1ARK 61 
A1ARK H201 H21 H 0 0 N N N N N N -10.289 -20.191 -21.072 1.754  4.509  -1.363 H201 A1ARK 62 
A1ARK H211 H22 H 0 0 N N N N N N -6.850  -13.436 -19.276 -1.664 -5.045 0.387  H211 A1ARK 63 
A1ARK H212 H23 H 0 0 N N N N N N -7.181  -11.673 -19.187 -2.573 -4.548 1.834  H212 A1ARK 64 
A1ARK H222 H24 H 0 0 N N N N N N -5.300  -11.346 -17.673 -3.871 -6.171 0.482  H222 A1ARK 65 
A1ARK H221 H25 H 0 0 N N N N N N -4.745  -12.229 -19.136 -4.678 -4.585 0.524  H221 A1ARK 66 
A1ARK H232 H26 H 0 0 N N N N N N -3.799  -13.183 -17.035 -2.881 -5.608 -1.721 H232 A1ARK 67 
A1ARK H231 H27 H 0 0 N N N N N N -4.833  -14.361 -17.912 -4.657 -5.512 -1.776 H231 A1ARK 68 
A1ARK H242 H28 H 0 0 N N N N N N -5.683  -12.611 -15.544 -3.625 -3.555 -2.895 H242 A1ARK 69 
A1ARK H241 H29 H 0 0 N N N N N N -5.344  -14.375 -15.490 -4.535 -3.057 -1.447 H241 A1ARK 70 
A1ARK H251 H30 H 0 0 N N N N N N -7.786  -13.872 -15.584 -2.327 -1.931 -1.542 H251 A1ARK 71 
A1ARK H252 H31 H 0 0 N N N N N N -7.221  -14.822 -17.000 -1.520 -3.517 -1.584 H252 A1ARK 72 
A1ARK H4   H32 H 0 1 N N N N N N -13.672 -12.689 -17.511 -4.349 1.331  1.626  H4   A1ARK 73 
A1ARK H5   H33 H 0 1 N N N N N N -13.466 -11.426 -14.745 -4.619 -0.715 3.059  H5   A1ARK 74 
A1ARK H    H34 H 0 1 N N N N N N -12.659 -10.716 -16.184 -6.151 0.150  2.788  H    A1ARK 75 
A1ARK H62  H35 H 0 1 N N N N N N -14.181 -13.462 -14.611 -6.006 -0.267 -0.377 H62  A1ARK 76 
A1ARK H61  H36 H 0 1 N N N N N N -15.363 -13.339 -15.959 -6.607 1.139  0.534  H61  A1ARK 77 
A1ARK H7   H37 H 0 1 N N N N N N -13.100 -15.384 -15.980 -4.137 1.222  -1.266 H7   A1ARK 78 
A1ARK H81  H38 H 0 1 N N N N N N -15.363 -14.601 -17.706 -5.673 3.208  0.442  H81  A1ARK 79 
A1ARK H82  H39 H 0 1 N N N N N N -14.088 -15.828 -18.014 -3.932 3.201  0.001  H82  A1ARK 80 
A1ARK H91  H40 H 0 1 N N N N N N -16.792 -16.398 -17.415 -5.792 4.810  -1.284 H91  A1ARK 81 
A1ARK H92  H41 H 0 1 N N N N N N -15.429 -17.557 -17.260 -4.335 4.173  -2.103 H92  A1ARK 82 
A1ARK HN1  H42 H 0 1 N N N N N N -11.458 -12.960 -15.519 -3.700 -0.926 -0.121 HN1  A1ARK 83 
A1ARK HN2  H43 H 0 1 N N N N N N -16.695 -16.934 -14.978 -6.646 3.428  -3.181 HN2  A1ARK 84 
A1ARK HN3  H44 H 0 1 N N N N N N -9.753  -19.154 -16.497 3.399  -0.161 -0.934 HN3  A1ARK 85 
A1ARK HO2  H45 H 0 1 N N N N N N -14.781 -9.856  -15.829 -6.371 -2.196 2.391  HO2  A1ARK 86 
# 
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 
A1ARK O6  C15  DOUB N N 1  
A1ARK O5  C15  SING N N 2  
A1ARK C15 N3   SING N N 3  
A1ARK C16 O5   SING N N 4  
A1ARK C27 C16  SING N N 5  
A1ARK F1  C27  SING N N 6  
A1ARK F2  C27  SING N N 7  
A1ARK F3  C27  SING N N 8  
A1ARK N3  C    SING N N 9  
A1ARK C13 C    SING N N 10 
A1ARK C   C1   SING N N 11 
A1ARK O4  C13  SING N N 12 
A1ARK C14 C13  SING N N 13 
A1ARK C17 O4   SING N N 14 
A1ARK C20 C17  SING N N 15 
A1ARK C19 C17  SING N N 16 
A1ARK C18 C17  SING N N 17 
A1ARK O   C1   DOUB N N 18 
A1ARK C1  N    SING N N 19 
A1ARK N   C2   SING N N 20 
A1ARK C11 C2   SING N N 21 
A1ARK C2  C3   SING N N 22 
A1ARK C12 C11  SING N N 23 
A1ARK C25 C12  SING N N 24 
A1ARK C12 C21  SING N N 25 
A1ARK C24 C25  SING N N 26 
A1ARK C23 C24  SING N N 27 
A1ARK C22 C23  SING N N 28 
A1ARK C21 C22  SING N N 29 
A1ARK O1  C3   DOUB N N 30 
A1ARK C3  N1   SING N N 31 
A1ARK N1  C4   SING N N 32 
A1ARK C5  C4   SING N N 33 
A1ARK C4  C6   SING N N 34 
A1ARK O2  C5   SING N N 35 
A1ARK C6  C7   SING N N 36 
A1ARK C7  C10  SING N N 37 
A1ARK C7  C8   SING N N 38 
A1ARK C10 O3   DOUB N N 39 
A1ARK N2  C10  SING N N 40 
A1ARK C8  C9   SING N N 41 
A1ARK C9  N2   SING N N 42 
A1ARK N   HN   SING N N 43 
A1ARK C   H0   SING N N 44 
A1ARK C11 H111 SING N N 45 
A1ARK C11 H112 SING N N 46 
A1ARK C12 H12  SING N N 47 
A1ARK C13 H13  SING N N 48 
A1ARK C14 H142 SING N N 49 
A1ARK C14 H143 SING N N 50 
A1ARK C14 H141 SING N N 51 
A1ARK C16 H162 SING N N 52 
A1ARK C16 H16  SING N N 53 
A1ARK C18 H183 SING N N 54 
A1ARK C18 H182 SING N N 55 
A1ARK C18 H181 SING N N 56 
A1ARK C19 H193 SING N N 57 
A1ARK C19 H191 SING N N 58 
A1ARK C19 H192 SING N N 59 
A1ARK C2  H2   SING N N 60 
A1ARK C20 H202 SING N N 61 
A1ARK C20 H203 SING N N 62 
A1ARK C20 H201 SING N N 63 
A1ARK C21 H211 SING N N 64 
A1ARK C21 H212 SING N N 65 
A1ARK C22 H222 SING N N 66 
A1ARK C22 H221 SING N N 67 
A1ARK C23 H232 SING N N 68 
A1ARK C23 H231 SING N N 69 
A1ARK C24 H242 SING N N 70 
A1ARK C24 H241 SING N N 71 
A1ARK C25 H251 SING N N 72 
A1ARK C25 H252 SING N N 73 
A1ARK C4  H4   SING N N 74 
A1ARK C5  H5   SING N N 75 
A1ARK C5  H    SING N N 76 
A1ARK C6  H62  SING N N 77 
A1ARK C6  H61  SING N N 78 
A1ARK C7  H7   SING N N 79 
A1ARK C8  H81  SING N N 80 
A1ARK C8  H82  SING N N 81 
A1ARK C9  H91  SING N N 82 
A1ARK C9  H92  SING N N 83 
A1ARK N1  HN1  SING N N 84 
A1ARK N2  HN2  SING N N 85 
A1ARK N3  HN3  SING N N 86 
A1ARK O2  HO2  SING N N 87 
# 
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 
A1ARK SMILES           ACDLabs              12.01 "CC(C)(C)OC(C)C(NC(=O)OCC(F)(F)F)C(=O)NC(CC1CCCCC1)C(=O)NC(CC1CCNC1=O)CO"                                                                                                                                                                
A1ARK InChI            InChI                1.06  "InChI=1S/C27H45F3N4O7/c1-16(41-26(2,3)4)21(34-25(39)40-15-27(28,29)30)24(38)33-20(12-17-8-6-5-7-9-17)23(37)32-19(14-35)13-18-10-11-31-22(18)36/h16-21,35H,5-15H2,1-4H3,(H,31,36)(H,32,37)(H,33,38)(H,34,39)/t16-,18+,19-,20+,21+/m1/s1" 
A1ARK InChIKey         InChI                1.06  QMUHWSZOWZSKBM-VLQCVTHLSA-N                                                                                                                                                                                                              
A1ARK SMILES_CANONICAL CACTVS               3.385 "C[C@@H](OC(C)(C)C)[C@H](NC(=O)OCC(F)(F)F)C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@H](CO)C[C@@H]2CCNC2=O"                                                                                                                                         
A1ARK SMILES           CACTVS               3.385 "C[CH](OC(C)(C)C)[CH](NC(=O)OCC(F)(F)F)C(=O)N[CH](CC1CCCCC1)C(=O)N[CH](CO)C[CH]2CCNC2=O"                                                                                                                                                 
A1ARK SMILES_CANONICAL "OpenEye OEToolkits" 2.0.7 "C[C@H]([C@@H](C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](C[C@@H]2CCNC2=O)CO)NC(=O)OCC(F)(F)F)OC(C)(C)C"                                                                                                                                        
A1ARK SMILES           "OpenEye OEToolkits" 2.0.7 "CC(C(C(=O)NC(CC1CCCCC1)C(=O)NC(CC2CCNC2=O)CO)NC(=O)OCC(F)(F)F)OC(C)(C)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 
A1ARK "SYSTEMATIC NAME" ACDLabs              12.01 "O-tert-butyl-N-[(2,2,2-trifluoroethoxy)carbonyl]-L-threonyl-3-cyclohexyl-N-{(2R)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide"                                                                                                              
A1ARK "SYSTEMATIC NAME" "OpenEye OEToolkits" 2.0.7 "2,2,2-tris(fluoranyl)ethyl ~{N}-[(2~{S},3~{R})-1-[[(2~{S})-3-cyclohexyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxidanylidene-butan-2-yl]carbamate" 
# 
loop_
_pdbx_chem_comp_audit.comp_id 
_pdbx_chem_comp_audit.action_type 
_pdbx_chem_comp_audit.date 
_pdbx_chem_comp_audit.processing_site 
A1ARK "Create component" 2024-05-13 RCSB 
A1ARK "Modify PCM"       2024-09-27 PDBE 
A1ARK "Initial release"  2025-05-14 RCSB 
# 
_pdbx_chem_comp_pcm.pcm_id                             1 
_pdbx_chem_comp_pcm.comp_id                            A1ARK 
_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               C5 
_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      ? 
# 
