data_A1EL9
# 
_chem_comp.id                                    A1EL9 
_chem_comp.name                                  "(2~{S})-2-[[(2~{R},4~{a}~{S},6~{a}~{R},6~{a}~{S},14~{a}~{S},14~{b}~{R})-2,4~{a},6~{a},6~{a},9,14~{a}-hexamethyl-10-oxidanyl-11-oxidanylidene-1,3,4,5,6,13,14,14~{b}-octahydropicen-2-yl]carbamoylamino]butanoic acid" 
_chem_comp.type                                  non-polymer 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C33 H46 N2 O5" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2025-02-18 
_chem_comp.pdbx_modified_date                    2025-07-04 
_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                        550.729 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     A1EL9 
_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        9LNH 
_chem_comp.pdbx_subcomponent_list                ? 
_chem_comp.pdbx_processing_site                  PDBC 
_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 
A1EL9 C6  C1  C 0 1 N N N N N N -23.951 53.964 4.252  5.449  -2.477 -0.117 C6  A1EL9 1  
A1EL9 C7  C2  C 0 1 N N N N N N -25.699 56.451 2.487  3.693  0.170  -1.974 C7  A1EL9 2  
A1EL9 C1  C3  C 0 1 N N N N N N -24.225 54.806 3.342  5.045  -1.691 -1.152 C1  A1EL9 3  
A1EL9 C10 C4  C 0 1 N N R N N N -27.636 56.363 4.659  2.972  0.947  0.719  C10 A1EL9 4  
A1EL9 C11 C5  C 0 1 N N S N N N -29.246 57.631 3.136  1.229  2.543  -0.388 C11 A1EL9 5  
A1EL9 C12 C6  C 0 1 N N S N N N -30.362 56.597 3.461  0.169  1.908  0.527  C12 A1EL9 6  
A1EL9 C13 C7  C 0 1 N N N N N N -30.243 56.195 4.927  0.821  1.640  1.888  C13 A1EL9 7  
A1EL9 C14 C8  C 0 1 N N N N N N -28.812 55.463 5.152  1.930  0.602  1.776  C14 A1EL9 8  
A1EL9 C15 C9  C 0 1 N N N N N N -29.545 58.001 1.546  0.597  2.797  -1.757 C15 A1EL9 9  
A1EL9 C16 C10 C 0 1 N N N N N N -30.920 58.563 1.341  -0.542 3.801  -1.625 C16 A1EL9 10 
A1EL9 C17 C11 C 0 1 N N S N N N -32.070 57.848 1.927  -1.607 3.364  -0.622 C17 A1EL9 11 
A1EL9 C18 C12 C 0 1 N N R N N N -31.782 57.182 3.241  -1.025 2.824  0.673  C18 A1EL9 12 
A1EL9 C19 C13 C 0 1 N N N N N N -32.651 56.835 0.846  -2.573 2.377  -1.266 C19 A1EL9 13 
A1EL9 C2  C14 C 0 1 N N N N N N -25.426 55.644 3.379  4.174  -0.602 -0.916 C2  A1EL9 14 
A1EL9 C20 C15 C 0 1 N N N N N N -33.991 56.156 1.302  -3.729 2.081  -0.317 C20 A1EL9 15 
A1EL9 C21 C16 C 0 1 N N R N N N -33.690 55.251 2.561  -3.235 1.516  1.011  C21 A1EL9 16 
A1EL9 C22 C17 C 0 1 N N N N N N -32.835 56.077 3.546  -2.100 2.319  1.620  C22 A1EL9 17 
A1EL9 C23 C18 C 0 1 N N N N N N -23.200 54.879 2.206  5.538  -2.009 -2.540 C23 A1EL9 18 
A1EL9 C24 C19 C 0 1 N N N N N N -32.411 53.043 2.913  -3.830 -0.761 0.391  C24 A1EL9 19 
A1EL9 C25 C20 C 0 1 N N S N N N -31.138 50.912 3.030  -4.529 -3.002 -0.260 C25 A1EL9 20 
A1EL9 C26 C21 C 0 1 N N N N N N -30.128 50.176 2.175  -4.241 -4.390 0.250  C26 A1EL9 21 
A1EL9 C27 C22 C 0 1 N N N N N N -32.291 49.971 3.341  -4.468 -2.997 -1.789 C27 A1EL9 22 
A1EL9 C28 C23 C 0 1 N N N N N N -32.967 49.557 2.040  -4.883 -1.620 -2.312 C28 A1EL9 23 
A1EL9 C29 C24 C 0 1 N N N N N N -27.268 57.345 5.774  3.961  1.948  1.331  C29 A1EL9 24 
A1EL9 C3  C25 C 0 1 N N N N N N -26.371 55.480 4.552  3.785  -0.285 0.406  C3  A1EL9 25 
A1EL9 C30 C26 C 0 1 N N N N N N -29.486 58.939 3.902  1.739  3.867  0.173  C30 A1EL9 26 
A1EL9 C31 C27 C 0 1 N N N N N N -33.178 58.884 2.179  -2.405 4.646  -0.272 C31 A1EL9 27 
A1EL9 C32 C28 C 0 1 N N N N N N -34.966 54.777 3.178  -4.428 1.602  1.999  C32 A1EL9 28 
A1EL9 C33 C29 C 0 1 N N N N N N -30.087 55.362 2.598  -0.210 0.552  -0.078 C33 A1EL9 29 
A1EL9 C4  C30 C 0 1 N N N N N N -25.962 54.520 5.523  4.180  -1.081 1.436  C4  A1EL9 30 
A1EL9 C5  C31 C 0 1 N N N N N N -24.736 53.777 5.322  5.001  -2.200 1.196  C5  A1EL9 31 
A1EL9 C8  C32 C 0 1 N N N N N N -27.020 57.124 2.376  2.750  1.181  -1.742 C8  A1EL9 32 
A1EL9 C9  C33 C 0 1 N N N N N N -27.944 57.089 3.346  2.361  1.542  -0.512 C9  A1EL9 33 
A1EL9 N1  N1  N 0 1 N N N N N N -32.915 54.122 2.076  -2.912 0.097  0.880  N1  A1EL9 34 
A1EL9 N2  N2  N 0 1 N N N N N N -31.645 52.010 2.233  -3.532 -2.069 0.271  N2  A1EL9 35 
A1EL9 O1  O1  O 0 1 N N N N N N -24.410 52.971 6.131  5.334  -2.923 2.124  O1  A1EL9 36 
A1EL9 O2  O2  O 0 1 N N N N N N -22.774 53.223 4.113  6.278  -3.530 -0.349 O2  A1EL9 37 
A1EL9 O3  O3  O 0 1 N N N N N N -32.584 52.970 4.088  -4.926 -0.354 0.060  O3  A1EL9 38 
A1EL9 O4  O4  O 0 1 N N N N N N -29.593 50.737 1.180  -3.299 -4.581 0.982  O4  A1EL9 39 
A1EL9 O5  O5  O 0 1 N N N N N N -29.853 48.996 2.475  -5.030 -5.414 -0.109 O5  A1EL9 40 
A1EL9 H3  H1  H 0 1 N N N N N N -24.942 56.680 1.751  4.025  0.005  -2.988 H3  A1EL9 41 
A1EL9 H5  H2  H 0 1 N N N N N N -30.304 57.091 5.562  1.195  2.560  2.323  H5  A1EL9 42 
A1EL9 H6  H3  H 0 1 N N N N N N -31.058 55.503 5.188  0.049  1.245  2.564  H6  A1EL9 43 
A1EL9 H8  H4  H 0 1 N N N N N N -28.800 54.517 4.590  1.520  -0.391 1.591  H8  A1EL9 44 
A1EL9 H7  H5  H 0 1 N N N N N N -28.680 55.255 6.224  2.443  0.548  2.753  H7  A1EL9 45 
A1EL9 H9  H6  H 0 1 N N N N N N -28.806 58.743 1.211  1.366  3.234  -2.413 H9  A1EL9 46 
A1EL9 H10 H7  H 0 1 N N N N N N -29.444 57.085 0.945  0.249  1.878  -2.214 H10 A1EL9 47 
A1EL9 H11 H8  H 0 1 N N N N N N -30.921 59.579 1.762  -0.162 4.786  -1.353 H11 A1EL9 48 
A1EL9 H12 H9  H 0 1 N N N N N N -31.090 58.616 0.256  -1.025 3.908  -2.610 H12 A1EL9 49 
A1EL9 H1  H10 H 0 1 N N N N N N -31.917 57.950 4.017  -0.628 3.743  1.203  H1  A1EL9 50 
A1EL9 H13 H11 H 0 1 N N N N N N -32.837 57.387 -0.087 -2.983 2.837  -2.179 H13 A1EL9 51 
A1EL9 H14 H12 H 0 1 N N N N N N -31.903 56.049 0.664  -2.073 1.462  -1.560 H14 A1EL9 52 
A1EL9 H15 H13 H 0 1 N N N N N N -34.727 56.929 1.568  -4.341 2.962  -0.150 H15 A1EL9 53 
A1EL9 H16 H14 H 0 1 N N N N N N -34.389 55.536 0.486  -4.375 1.324  -0.792 H16 A1EL9 54 
A1EL9 H18 H15 H 0 1 N N N N N N -32.281 55.324 4.125  -1.627 1.708  2.406  H18 A1EL9 55 
A1EL9 H17 H16 H 0 1 N N N N N N -33.570 56.572 4.197  -2.533 3.185  2.151  H17 A1EL9 56 
A1EL9 H22 H17 H 0 1 N N N N N N -22.389 54.160 2.396  6.467  -1.470 -2.728 H22 A1EL9 57 
A1EL9 H20 H18 H 0 1 N N N N N N -23.691 54.634 1.253  5.716  -3.081 -2.626 H20 A1EL9 58 
A1EL9 H21 H19 H 0 1 N N N N N N -22.783 55.896 2.153  4.788  -1.706 -3.270 H21 A1EL9 59 
A1EL9 H25 H20 H 0 1 N N N N N N -30.671 51.269 3.960  -5.523 -2.694 0.065  H25 A1EL9 60 
A1EL9 H27 H21 H 0 1 N N N N N N -31.908 49.078 3.857  -3.451 -3.218 -2.113 H27 A1EL9 61 
A1EL9 H26 H22 H 0 1 N N N N N N -33.019 50.483 3.987  -5.147 -3.754 -2.182 H26 A1EL9 62 
A1EL9 H31 H23 H 0 1 N N N N N N -33.802 48.876 2.261  -4.839 -1.617 -3.401 H31 A1EL9 63 
A1EL9 H30 H24 H 0 1 N N N N N N -33.349 50.451 1.525  -5.900 -1.400 -1.988 H30 A1EL9 64 
A1EL9 H29 H25 H 0 1 N N N N N N -32.238 49.046 1.395  -4.204 -0.863 -1.919 H29 A1EL9 65 
A1EL9 H33 H26 H 0 1 N N N N N N -28.105 58.037 5.945  4.523  1.462  2.129  H33 A1EL9 66 
A1EL9 H32 H27 H 0 1 N N N N N N -27.059 56.788 6.699  4.650  2.295  0.561  H32 A1EL9 67 
A1EL9 H34 H28 H 0 1 N N N N N N -26.375 57.916 5.480  3.413  2.797  1.739  H34 A1EL9 68 
A1EL9 H35 H29 H 0 1 N N N N N N -30.504 59.303 3.698  2.079  3.720  1.198  H35 A1EL9 69 
A1EL9 H37 H30 H 0 1 N N N N N N -29.371 58.758 4.981  2.568  4.225  -0.437 H37 A1EL9 70 
A1EL9 H36 H31 H 0 1 N N N N N N -28.755 59.694 3.577  0.934  4.602  0.159  H36 A1EL9 71 
A1EL9 H39 H32 H 0 1 N N N N N N -34.055 58.385 2.617  -2.857 5.051  -1.178 H39 A1EL9 72 
A1EL9 H38 H33 H 0 1 N N N N N N -32.809 59.654 2.873  -3.188 4.401  0.446  H38 A1EL9 73 
A1EL9 H40 H34 H 0 1 N N N N N N -33.463 59.355 1.227  -1.733 5.386  0.162  H40 A1EL9 74 
A1EL9 H43 H35 H 0 1 N N N N N N -34.740 54.149 4.052  -5.263 1.016  1.613  H43 A1EL9 75 
A1EL9 H41 H36 H 0 1 N N N N N N -35.564 55.644 3.494  -4.126 1.208  2.969  H41 A1EL9 76 
A1EL9 H42 H37 H 0 1 N N N N N N -35.533 54.189 2.441  -4.735 2.642  2.109  H42 A1EL9 77 
A1EL9 H44 H38 H 0 1 N N N N N N -30.854 54.599 2.794  0.678  0.080  -0.497 H44 A1EL9 78 
A1EL9 H46 H39 H 0 1 N N N N N N -30.114 55.644 1.535  -0.629 -0.087 0.699  H46 A1EL9 79 
A1EL9 H45 H40 H 0 1 N N N N N N -29.095 54.956 2.845  -0.949 0.700  -0.865 H45 A1EL9 80 
A1EL9 H2  H41 H 0 1 N N N N N N -26.563 54.348 6.404  3.863  -0.862 2.445  H2  A1EL9 81 
A1EL9 H4  H42 H 0 1 N N N N N N -27.246 57.667 1.470  2.330  1.687  -2.598 H4  A1EL9 82 
A1EL9 H23 H43 H 0 1 N N N N N N -32.713 54.083 1.097  -2.037 -0.227 1.145  H23 A1EL9 83 
A1EL9 H24 H44 H 0 1 N N N N N N -31.474 52.056 1.249  -2.657 -2.394 0.535  H24 A1EL9 84 
A1EL9 H19 H45 H 0 1 N N N N N N -22.680 52.636 4.854  6.511  -4.030 0.446  H19 A1EL9 85 
A1EL9 H28 H46 H 0 1 N N N N N N -29.220 48.651 1.856  -4.806 -6.286 0.243  H28 A1EL9 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 
A1EL9 C1  C2  SING N N 1  
A1EL9 C1  C6  DOUB N N 2  
A1EL9 C1  C23 SING N N 3  
A1EL9 C2  C3  SING N N 4  
A1EL9 C2  C7  DOUB N N 5  
A1EL9 C3  C4  DOUB N N 6  
A1EL9 C3  C10 SING N N 7  
A1EL9 C4  C5  SING N N 8  
A1EL9 C5  C6  SING N N 9  
A1EL9 C5  O1  DOUB N N 10 
A1EL9 C6  O2  SING N N 11 
A1EL9 C7  C8  SING N N 12 
A1EL9 C8  C9  DOUB N N 13 
A1EL9 C9  C10 SING N N 14 
A1EL9 C9  C11 SING N N 15 
A1EL9 C10 C14 SING N N 16 
A1EL9 C10 C29 SING N N 17 
A1EL9 C11 C12 SING N N 18 
A1EL9 C11 C15 SING N N 19 
A1EL9 C11 C30 SING N N 20 
A1EL9 C12 C13 SING N N 21 
A1EL9 C12 C18 SING N N 22 
A1EL9 C12 C33 SING N N 23 
A1EL9 C13 C14 SING N N 24 
A1EL9 C15 C16 SING N N 25 
A1EL9 C16 C17 SING N N 26 
A1EL9 C17 C18 SING N N 27 
A1EL9 C17 C19 SING N N 28 
A1EL9 C17 C31 SING N N 29 
A1EL9 C18 C22 SING N N 30 
A1EL9 C19 C20 SING N N 31 
A1EL9 C20 C21 SING N N 32 
A1EL9 C21 C22 SING N N 33 
A1EL9 C21 N1  SING N N 34 
A1EL9 C21 C32 SING N N 35 
A1EL9 N1  C24 SING N N 36 
A1EL9 C24 O3  DOUB N N 37 
A1EL9 C24 N2  SING N N 38 
A1EL9 N2  C25 SING N N 39 
A1EL9 C25 C26 SING N N 40 
A1EL9 C25 C27 SING N N 41 
A1EL9 C26 O4  DOUB N N 42 
A1EL9 C26 O5  SING N N 43 
A1EL9 C27 C28 SING N N 44 
A1EL9 C7  H3  SING N N 45 
A1EL9 C13 H5  SING N N 46 
A1EL9 C13 H6  SING N N 47 
A1EL9 C14 H8  SING N N 48 
A1EL9 C14 H7  SING N N 49 
A1EL9 C15 H9  SING N N 50 
A1EL9 C15 H10 SING N N 51 
A1EL9 C16 H11 SING N N 52 
A1EL9 C16 H12 SING N N 53 
A1EL9 C18 H1  SING N N 54 
A1EL9 C19 H13 SING N N 55 
A1EL9 C19 H14 SING N N 56 
A1EL9 C20 H15 SING N N 57 
A1EL9 C20 H16 SING N N 58 
A1EL9 C22 H18 SING N N 59 
A1EL9 C22 H17 SING N N 60 
A1EL9 C23 H22 SING N N 61 
A1EL9 C23 H20 SING N N 62 
A1EL9 C23 H21 SING N N 63 
A1EL9 C25 H25 SING N N 64 
A1EL9 C27 H27 SING N N 65 
A1EL9 C27 H26 SING N N 66 
A1EL9 C28 H31 SING N N 67 
A1EL9 C28 H30 SING N N 68 
A1EL9 C28 H29 SING N N 69 
A1EL9 C29 H33 SING N N 70 
A1EL9 C29 H32 SING N N 71 
A1EL9 C29 H34 SING N N 72 
A1EL9 C30 H35 SING N N 73 
A1EL9 C30 H37 SING N N 74 
A1EL9 C30 H36 SING N N 75 
A1EL9 C31 H39 SING N N 76 
A1EL9 C31 H38 SING N N 77 
A1EL9 C31 H40 SING N N 78 
A1EL9 C32 H43 SING N N 79 
A1EL9 C32 H41 SING N N 80 
A1EL9 C32 H42 SING N N 81 
A1EL9 C33 H44 SING N N 82 
A1EL9 C33 H46 SING N N 83 
A1EL9 C33 H45 SING N N 84 
A1EL9 C4  H2  SING N N 85 
A1EL9 C8  H4  SING N N 86 
A1EL9 N1  H23 SING N N 87 
A1EL9 N2  H24 SING N N 88 
A1EL9 O2  H19 SING N N 89 
A1EL9 O5  H28 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 
A1EL9 InChI            InChI                1.06  "InChI=1S/C33H46N2O5/c1-8-22(27(38)39)34-28(40)35-30(4)13-11-29(3)12-15-32(6)24-10-9-20-19(2)26(37)23(36)17-21(20)31(24,5)14-16-33(32,7)25(29)18-30/h9-10,17,22,25,37H,8,11-16,18H2,1-7H3,(H,38,39)(H2,34,35,40)/t22?,25?,29-,30-,31+,32-,33+/m1/s1" 
A1EL9 InChIKey         InChI                1.06  PMMICXSXMUCBMJ-XSZYYSLISA-N                                                                                                                                                                                                                          
A1EL9 SMILES_CANONICAL CACTVS               3.385 "CC[C@H](NC(=O)N[C@]1(C)CC[C@]2(C)CC[C@]3(C)C4=CC=C5C(=C(O)C(=O)C=C5[C@]4(C)CC[C@@]3(C)[C@@H]2C1)C)C(O)=O"                                                                                                                                           
A1EL9 SMILES           CACTVS               3.385 "CC[CH](NC(=O)N[C]1(C)CC[C]2(C)CC[C]3(C)C4=CC=C5C(=C(O)C(=O)C=C5[C]4(C)CC[C]3(C)[CH]2C1)C)C(O)=O"                                                                                                                                                    
A1EL9 SMILES_CANONICAL "OpenEye OEToolkits" 2.0.7 "CC[C@@H](C(=O)O)NC(=O)N[C@@]1(CC[C@@]2(CC[C@@]3(C4=CC=C5C(=C(C(=O)C=C5[C@@]4(CC[C@]3([C@@H]2C1)C)C)O)C)C)C)C"                                                                                                                                       
A1EL9 SMILES           "OpenEye OEToolkits" 2.0.7 "CCC(C(=O)O)NC(=O)NC1(CCC2(CCC3(C4=CC=C5C(=C(C(=O)C=C5C4(CCC3(C2C1)C)C)O)C)C)C)C"                                                                                                                                                                    
# 
_pdbx_chem_comp_identifier.comp_id           A1EL9 
_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        "(2~{S})-2-[[(2~{R},4~{a}~{S},6~{a}~{R},6~{a}~{S},14~{a}~{S},14~{b}~{R})-2,4~{a},6~{a},6~{a},9,14~{a}-hexamethyl-10-oxidanyl-11-oxidanylidene-1,3,4,5,6,13,14,14~{b}-octahydropicen-2-yl]carbamoylamino]butanoic acid" 
# 
loop_
_pdbx_chem_comp_audit.comp_id 
_pdbx_chem_comp_audit.action_type 
_pdbx_chem_comp_audit.date 
_pdbx_chem_comp_audit.processing_site 
A1EL9 "Create component" 2025-02-18 PDBC 
A1EL9 "Modify PCM"       2025-02-19 PDBC 
A1EL9 "Initial release"  2025-07-09 RCSB 
# 
_pdbx_chem_comp_pcm.pcm_id                             1 
_pdbx_chem_comp_pcm.comp_id                            A1EL9 
_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               C7 
_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      ? 
# 
