data_MCX
# 
_chem_comp.id                                    MCX 
_chem_comp.name                                  
;(1R,2S,5S)-N-[(2S,3R)-4-amino-1-cyclobutyl-3-hydroxy-4-oxobutan-2-yl]-6,6-dimethyl-3-{3-methyl-N-[(1-methylcyclohexyl)c
arbamoyl]-L-valyl}-3-azabicyclo[3.1.0]hexane-2-carboxamide
;
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C30 H51 N5 O5" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         "Boceprevir derivative, bound form" 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2010-02-08 
_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                        561.756 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     MCX 
_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        3LOX 
_chem_comp.pdbx_subcomponent_list                "12K TBG 12L 12N NH2" 
_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 
MCX C1  C1  C 0 1 N N N N N N 191.984 -10.555 48.629 4.163  -0.465 -0.499 C1   12K 1  
MCX O2  O2  O 0 1 N N N N N N 192.524 -11.602 49.019 4.314  0.368  -1.371 O2   12K 2  
MCX N3  N3  N 0 1 N N N N N N 190.672 -10.340 48.707 5.238  -1.013 0.102  N3   12K 3  
MCX C4  C4  C 0 1 N N N N N N 189.720 -11.336 49.246 6.587  -0.606 -0.297 C4   12K 4  
MCX C5  C5  C 0 1 N N N N N N 189.626 -12.486 48.259 6.796  -0.914 -1.781 C5   12K 5  
MCX C6  C6  C 0 1 N N N N N N 188.307 -10.710 49.359 7.618  -1.374 0.533  C6   12K 6  
MCX C7  C7  C 0 1 N N N N N N 188.271 -9.681  50.465 7.409  -1.066 2.017  C7   12K 7  
MCX C8  C8  C 0 1 N N N N N N 188.644 -10.327 51.793 7.580  0.436  2.255  C8   12K 8  
MCX C9  C9  C 0 1 N N N N N N 190.038 -10.951 51.725 6.549  1.204  1.425  C9   12K 9  
MCX C10 C10 C 0 1 N N N N N N 190.124 -11.967 50.602 6.758  0.896  -0.059 C10  12K 10 
MCX N11 N11 N 0 1 N N N N N N 192.676 -9.558  48.090 2.922  -0.836 -0.128 N    TBG 11 
MCX C12 C12 C 0 1 N N S N N N 194.132 -9.536  48.124 1.753  -0.239 -0.781 CA   TBG 12 
MCX C13 C13 C 0 1 N N N N N N 194.725 -8.953  46.805 1.441  -1.007 -2.067 CB   TBG 13 
MCX C14 C14 C 0 1 N N N N N N 196.252 -8.866  46.959 1.095  -2.458 -1.724 CG1  TBG 14 
MCX C15 C15 C 0 1 N N N N N N 194.376 -9.934  45.668 0.252  -0.354 -2.775 CG2  TBG 15 
MCX C16 C16 C 0 1 N N N N N N 194.215 -7.551  46.377 2.662  -0.978 -2.989 CG3  TBG 16 
MCX C17 C17 C 0 1 N N N N N N 194.575 -8.735  49.340 0.568  -0.310 0.147  C    TBG 17 
MCX O18 O18 O 0 1 N N N N N N 194.230 -7.560  49.473 0.471  -1.225 0.938  O    TBG 18 
MCX N19 N19 N 0 1 N N N N N N 195.246 -9.392  50.298 -0.383 0.643  0.098  N19  12L 19 
MCX C20 C20 C 0 1 N N N N N N 195.567 -10.826 50.382 -0.392 1.878  -0.719 C20  12L 20 
MCX C21 C21 C 0 1 N N S N N N 195.699 -8.665  51.484 -1.662 0.689  0.846  C21  12L 21 
MCX C22 C22 C 0 1 N N R N N N 196.228 -9.653  52.436 -1.825 2.171  1.248  C22  12L 22 
MCX C23 C23 C 0 1 N N S N N N 196.355 -10.906 51.649 -0.984 2.957  0.213  C23  12L 23 
MCX C24 C24 C 0 1 N N N N N N 195.498 -10.866 52.925 -0.579 2.938  1.694  C24  12L 24 
MCX C25 C25 C 0 1 N N N N N N 196.051 -11.524 54.130 -0.792 4.220  2.501  C25  12L 25 
MCX C26 C26 C 0 1 N N N N N N 193.983 -10.878 52.828 0.656  2.118  2.075  C26  12L 26 
MCX C27 C27 C 0 1 N N N N N N 196.721 -7.635  51.042 -2.803 0.256  -0.038 C27  12L 27 
MCX O28 O28 O 0 1 N N N N N N 197.706 -7.978  50.389 -2.671 0.258  -1.244 O28  12L 28 
MCX N29 N29 N 0 1 N N N N N N 196.466 -6.372  51.373 -3.970 -0.135 0.511  N29  12N 29 
MCX C30 C30 C 0 1 N N S N N N 197.345 -5.279  50.984 -5.080 -0.556 -0.348 C30  12N 30 
MCX C31 C31 C 0 1 N N N N N N 196.550 -4.243  50.185 -5.999 -1.497 0.432  C31  12N 31 
MCX C32 C32 C 0 1 N N N N N N 195.965 -4.717  48.828 -5.251 -2.792 0.752  C32  12N 32 
MCX C33 C33 C 0 1 N N N N N N 196.924 -4.911  47.617 -6.117 -3.845 1.464  C33  12N 33 
MCX C34 C34 C 0 1 N N N N N N 195.203 -3.651  48.015 -4.416 -2.718 2.042  C34  12N 34 
MCX C35 C35 C 0 1 N N N N N N 195.971 -4.065  46.749 -4.887 -4.155 2.334  C35  12N 35 
MCX O36 O36 O 0 1 N N N N N N 198.609 -5.653  53.043 -6.339 1.385  0.349  O36  12N 36 
MCX C37 C37 C 0 1 N N R N N N 198.092 -4.608  52.168 -5.871 0.674  -0.798 C37  12N 37 
MCX O38 O38 O 0 1 N N N N N N 199.023 -2.596  51.336 -4.651 2.656  -1.185 O38  12N 38 
MCX C40 C40 C 0 1 N N N N N N 199.251 -3.782  51.548 -4.981 1.572  -1.617 C40  12N 39 
MCX N39 N39 N 0 1 N N N N N N 200.421 -4.339  51.258 -4.551 1.171  -2.830 N    NH2 40 
MCX H1  H1  H 0 1 N N N N N N 190.313 -9.464  48.386 5.118  -1.678 0.798  H1   12K 41 
MCX H2  H2  H 0 1 N N N N N N 188.922 -13.240 48.640 6.062  -0.367 -2.372 H2   12K 42 
MCX H3  H3  H 0 1 N N N N N N 189.269 -12.109 47.289 7.800  -0.611 -2.077 H3   12K 43 
MCX H4  H4  H 0 1 N N N N N N 190.619 -12.942 48.132 6.675  -1.984 -1.950 H4   12K 44 
MCX H5  H5  H 0 1 N N N N N N 188.048 -10.226 48.406 7.497  -2.444 0.364  H5   12K 45 
MCX H6  H6  H 0 1 N N N N N N 187.576 -11.503 49.578 8.622  -1.070 0.237  H6   12K 46 
MCX H7  H7  H 0 1 N N N N N N 188.987 -8.877  50.238 6.405  -1.369 2.314  H7   12K 47 
MCX H8  H8  H 0 1 N N N N N N 187.257 -9.260  50.537 8.144  -1.613 2.609  H8   12K 48 
MCX H9  H9  H 0 1 N N N N N N 188.631 -9.561  52.582 7.431  0.656  3.312  H9   12K 49 
MCX H10 H10 H 0 1 N N N N N N 187.910 -11.111 52.031 8.584  0.739  1.959  H10  12K 50 
MCX H11 H11 H 0 1 N N N N N N 190.255 -11.451 52.680 5.545  0.901  1.722  H11  12K 51 
MCX H12 H12 H 0 1 N N N N N N 190.779 -10.157 51.550 6.670  2.274  1.595  H12  12K 52 
MCX H13 H13 H 0 1 N N N N N N 189.447 -12.806 50.824 7.762  1.199  -0.355 H13  12K 53 
MCX H14 H14 H 0 1 N N N N N N 191.157 -12.338 50.532 6.023  1.443  -0.650 H14  12K 54 
MCX H15 H15 H 0 1 N N N N N N 192.186 -8.805  47.651 2.801  -1.498 0.570  H    TBG 55 
MCX H16 H16 H 0 1 N N N N N N 194.505 -10.565 48.235 1.964  0.802  -1.022 HA   TBG 56 
MCX H17 H17 H 0 1 N N N N N N 196.500 -8.166  47.770 0.226  -2.478 -1.068 HG11 TBG 57 
MCX H18 H18 H 0 1 N N N N N N 196.654 -9.862  47.199 0.873  -3.004 -2.640 HG12 TBG 58 
MCX H19 H19 H 0 1 N N N N N N 196.696 -8.508  46.018 1.942  -2.923 -1.220 HG13 TBG 59 
MCX H20 H20 H 0 1 N N N N N N 194.723 -10.943 45.935 -0.607 -0.338 -2.104 HG21 TBG 60 
MCX H21 H21 H 0 1 N N N N N N 193.286 -9.948  45.518 0.512  0.667  -3.056 HG22 TBG 61 
MCX H22 H22 H 0 1 N N N N N N 194.870 -9.610  44.740 0.003  -0.925 -3.670 HG23 TBG 62 
MCX H23 H23 H 0 1 N N N N N N 194.446 -6.820  47.166 2.439  -1.525 -3.905 HG31 TBG 63 
MCX H24 H24 H 0 1 N N N N N N 194.710 -7.251  45.442 2.908  0.056  -3.233 HG32 TBG 64 
MCX H25 H25 H 0 1 N N N N N N 193.127 -7.589  46.220 3.509  -1.443 -2.485 HG33 TBG 65 
MCX H26 H26 H 0 1 N N N N N N 194.653 -11.435 50.443 0.623  2.146  -1.013 H26  12L 66 
MCX H27 H27 H 0 1 N N N N N N 196.167 -11.150 49.519 -1.022 1.748  -1.599 H27  12L 67 
MCX H28 H28 H 0 1 N N N N N N 194.846 -8.142  51.940 -1.607 0.058  1.733  H28  12L 68 
MCX H29 H29 H 0 1 N N N N N N 197.111 -9.352  53.019 -2.807 2.497  1.589  H29  12L 69 
MCX H30 H30 H 0 1 N N N N N N 197.300 -11.468 51.666 -1.351 3.875  -0.247 H30  12L 70 
MCX H31 H31 H 0 1 N N N N N N 195.340 -11.421 54.963 -1.331 3.987  3.419  H31  12L 71 
MCX H32 H32 H 0 1 N N N N N N 196.218 -12.591 53.921 0.175  4.658  2.749  H32  12L 72 
MCX H33 H33 H 0 1 N N N N N N 197.006 -11.049 54.401 -1.371 4.930  1.910  H33  12L 73 
MCX H34 H34 H 0 1 N N N N N N 193.550 -10.845 53.839 0.975  1.523  1.219  H34  12L 74 
MCX H35 H35 H 0 1 N N N N N N 193.645 -10.001 52.256 1.461  2.790  2.371  H35  12L 75 
MCX H36 H36 H 0 1 N N N N N N 193.656 -11.796 52.319 0.410  1.457  2.906  H36  12L 76 
MCX H37 H37 H 0 1 N N N N N N 195.645 -6.167  51.906 -4.076 -0.137 1.475  H37  12N 77 
MCX H38 H38 H 0 1 N N N N N N 198.115 -5.685  50.311 -4.686 -1.074 -1.222 H38  12N 78 
MCX H39 H39 H 0 1 N N N N N N 197.218 -3.393  49.983 -6.308 -1.017 1.360  H39  12N 79 
MCX H40 H40 H 0 1 N N N N N N 195.711 -3.909  50.813 -6.879 -1.726 -0.170 H40  12N 80 
MCX H41 H41 H 0 1 N N N N N N 195.342 -5.613  48.970 -4.700 -3.186 -0.102 H41  12N 81 
MCX H42 H42 H 0 1 N N N N N N 197.029 -5.955  47.287 -6.951 -3.419 2.022  H42  12N 82 
MCX H43 H43 H 0 1 N N N N N N 197.921 -4.468  47.755 -6.417 -4.671 0.820  H43  12N 83 
MCX H44 H44 H 0 1 N N N N N N 195.395 -2.617  48.339 -3.343 -2.637 1.863  H44  12N 84 
MCX H45 H45 H 0 1 N N N N N N 194.118 -3.821  47.957 -4.783 -1.983 2.757  H45  12N 85 
MCX H46 H46 H 0 1 N N N N N N 196.460 -3.230  46.225 -5.127 -4.332 3.382  H46  12N 86 
MCX H47 H47 H 0 1 N N N N N N 195.376 -4.650  46.032 -4.236 -4.920 1.912  H47  12N 87 
MCX H48 H48 H 0 1 N N N N N N 199.069 -5.256  53.773 -6.920 0.867  0.924  H48  12N 88 
MCX H49 H49 H 0 1 N N N N N N 197.407 -3.940  52.710 -6.722 0.357  -1.402 H49  12N 89 
MCX H50 H50 H 0 1 N N N N N N 201.151 -3.788  50.853 -3.920 1.716  -3.326 HN1  NH2 90 
MCX H51 H51 H 0 1 N N N N N N 200.573 -5.310  51.444 -4.873 0.338  -3.208 HN2  NH2 91 
# 
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 
MCX C15 C13 SING N N 1  
MCX C16 C13 SING N N 2  
MCX C35 C33 SING N N 3  
MCX C35 C34 SING N N 4  
MCX C13 C14 SING N N 5  
MCX C13 C12 SING N N 6  
MCX C33 C32 SING N N 7  
MCX C34 C32 SING N N 8  
MCX N11 C12 SING N N 9  
MCX N11 C1  SING N N 10 
MCX C12 C17 SING N N 11 
MCX C5  C4  SING N N 12 
MCX C1  N3  SING N N 13 
MCX C1  O2  DOUB N N 14 
MCX N3  C4  SING N N 15 
MCX C32 C31 SING N N 16 
MCX C4  C6  SING N N 17 
MCX C4  C10 SING N N 18 
MCX C17 O18 DOUB N N 19 
MCX C17 N19 SING N N 20 
MCX C6  C7  SING N N 21 
MCX C31 C30 SING N N 22 
MCX N19 C20 SING N N 23 
MCX N19 C21 SING N N 24 
MCX C20 C23 SING N N 25 
MCX O28 C27 DOUB N N 26 
MCX C7  C8  SING N N 27 
MCX C10 C9  SING N N 28 
MCX C30 N29 SING N N 29 
MCX C30 C37 SING N N 30 
MCX C27 N29 SING N N 31 
MCX C27 C21 SING N N 32 
MCX N39 C40 SING N N 33 
MCX O38 C40 DOUB N N 34 
MCX C21 C22 SING N N 35 
MCX C40 C37 SING N N 36 
MCX C23 C22 SING N N 37 
MCX C23 C24 SING N N 38 
MCX C9  C8  SING N N 39 
MCX C37 O36 SING N N 40 
MCX C22 C24 SING N N 41 
MCX C26 C24 SING N N 42 
MCX C24 C25 SING N N 43 
MCX N3  H1  SING N N 44 
MCX C5  H2  SING N N 45 
MCX C5  H3  SING N N 46 
MCX C5  H4  SING N N 47 
MCX C6  H5  SING N N 48 
MCX C6  H6  SING N N 49 
MCX C7  H7  SING N N 50 
MCX C7  H8  SING N N 51 
MCX C8  H9  SING N N 52 
MCX C8  H10 SING N N 53 
MCX C9  H11 SING N N 54 
MCX C9  H12 SING N N 55 
MCX C10 H13 SING N N 56 
MCX C10 H14 SING N N 57 
MCX N11 H15 SING N N 58 
MCX C12 H16 SING N N 59 
MCX C14 H17 SING N N 60 
MCX C14 H18 SING N N 61 
MCX C14 H19 SING N N 62 
MCX C15 H20 SING N N 63 
MCX C15 H21 SING N N 64 
MCX C15 H22 SING N N 65 
MCX C16 H23 SING N N 66 
MCX C16 H24 SING N N 67 
MCX C16 H25 SING N N 68 
MCX C20 H26 SING N N 69 
MCX C20 H27 SING N N 70 
MCX C21 H28 SING N N 71 
MCX C22 H29 SING N N 72 
MCX C23 H30 SING N N 73 
MCX C25 H31 SING N N 74 
MCX C25 H32 SING N N 75 
MCX C25 H33 SING N N 76 
MCX C26 H34 SING N N 77 
MCX C26 H35 SING N N 78 
MCX C26 H36 SING N N 79 
MCX N29 H37 SING N N 80 
MCX C30 H38 SING N N 81 
MCX C31 H39 SING N N 82 
MCX C31 H40 SING N N 83 
MCX C32 H41 SING N N 84 
MCX C33 H42 SING N N 85 
MCX C33 H43 SING N N 86 
MCX C34 H44 SING N N 87 
MCX C34 H45 SING N N 88 
MCX C35 H46 SING N N 89 
MCX C35 H47 SING N N 90 
MCX O36 H48 SING N N 91 
MCX C37 H49 SING N N 92 
MCX N39 H50 SING N N 93 
MCX N39 H51 SING N N 94 
# 
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 
MCX SMILES           ACDLabs              12.01 "O=C(N3C(C(=O)NC(CC1CCC1)C(O)C(=O)N)C2C(C)(C2C3)C)C(NC(=O)NC4(C)CCCCC4)C(C)(C)C"                                                                                                                                                          
MCX InChI            InChI                1.03  "InChI=1S/C30H51N5O5/c1-28(2,3)23(33-27(40)34-30(6)13-8-7-9-14-30)26(39)35-16-18-20(29(18,4)5)21(35)25(38)32-19(22(36)24(31)37)15-17-11-10-12-17/h17-23,36H,7-16H2,1-6H3,(H2,31,37)(H,32,38)(H2,33,34,40)/t18-,19-,20-,21-,22+,23+/m0/s1" 
MCX InChIKey         InChI                1.03  WDNKLUIQDGESNW-CSCWZEDUSA-N                                                                                                                                                                                                               
MCX SMILES_CANONICAL CACTVS               3.370 "CC(C)(C)[C@H](NC(=O)NC1(C)CCCCC1)C(=O)N2C[C@H]3[C@@H]([C@H]2C(=O)N[C@@H](CC4CCC4)[C@@H](O)C(N)=O)C3(C)C"                                                                                                                                 
MCX SMILES           CACTVS               3.370 "CC(C)(C)[CH](NC(=O)NC1(C)CCCCC1)C(=O)N2C[CH]3[CH]([CH]2C(=O)N[CH](CC4CCC4)[CH](O)C(N)=O)C3(C)C"                                                                                                                                          
MCX SMILES_CANONICAL "OpenEye OEToolkits" 1.7.6 "CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)NC3(CCCCC3)C)C(=O)N[C@@H](CC4CCC4)[C@H](C(=O)N)O)C"                                                                                                                                
MCX SMILES           "OpenEye OEToolkits" 1.7.6 "CC1(C2C1C(N(C2)C(=O)C(C(C)(C)C)NC(=O)NC3(CCCCC3)C)C(=O)NC(CC4CCC4)C(C(=O)N)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 
MCX "SYSTEMATIC NAME" ACDLabs              12.01 "(1R,2S,5S)-N-[(2S,3R)-4-amino-1-cyclobutyl-3-hydroxy-4-oxobutan-2-yl]-6,6-dimethyl-3-{3-methyl-N-[(1-methylcyclohexyl)carbamoyl]-L-valyl}-3-azabicyclo[3.1.0]hexane-2-carboxamide"                            
MCX "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.7.6 "(1S,4S,5R)-N-[(2S,3R)-4-azanyl-1-cyclobutyl-3-oxidanyl-4-oxidanylidene-butan-2-yl]-3-[(2S)-3,3-dimethyl-2-[(1-methylcyclohexyl)carbamoylamino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-4-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 
MCX "Create component"         2010-02-08 RCSB 
MCX "Modify descriptor"        2011-06-04 RCSB 
MCX "Other modification"       2012-09-11 RCSB 
MCX "Modify subcomponent list" 2012-10-01 RCSB 
MCX "Modify synonyms"          2020-06-05 PDBE 
MCX "Modify PCM"               2024-09-27 PDBE 
# 
_pdbx_chem_comp_synonyms.ordinal      1 
_pdbx_chem_comp_synonyms.comp_id      MCX 
_pdbx_chem_comp_synonyms.name         "Boceprevir derivative, bound form" 
_pdbx_chem_comp_synonyms.provenance   ? 
_pdbx_chem_comp_synonyms.type         ? 
# 
_pdbx_chem_comp_pcm.pcm_id                             1 
_pdbx_chem_comp_pcm.comp_id                            MCX 
_pdbx_chem_comp_pcm.modified_residue_id                SER 
_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               C37 
_pdbx_chem_comp_pcm.modified_residue_id_linking_atom   OG 
_pdbx_chem_comp_pcm.uniprot_specific_ptm_accession     ? 
_pdbx_chem_comp_pcm.uniprot_generic_ptm_accession      ? 
# 
