data_A1H4A
# 
_chem_comp.id                                    A1H4A 
_chem_comp.name                                  "8-[4-methyl-3-(trifluoromethyl)phenyl]-2-[[(7S)-7-(2-morpholin-4-ylethylcarbamoyl)-4-(phenylsulfonyl)-1,4-diazepan-1-yl]carbonyl]imidazo[1,2-a]pyridine-6-carboxylic acid" 
_chem_comp.type                                  non-polymer 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C35 H37 F3 N6 O7 S" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         "LIPID FRAGMENT" 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2024-02-13 
_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                        742.764 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     A1H4A 
_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        8RZB 
_chem_comp.pdbx_subcomponent_list                ? 
_chem_comp.pdbx_processing_site                  PDBE 
_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 
A1H4A C2  C1  C 0 1 N N N N N N 4.822  -17.238 -11.634 0.826  1.331  -0.665 C2  A1H4A 1  
A1H4A O1  O1  O 0 1 N N N N N N 4.604  -18.445 -11.768 1.738  1.970  -1.153 O1  A1H4A 2  
A1H4A C41 C2  C 0 1 Y N N N N N 7.527  -12.810 -6.988  -4.102 0.165  1.992  C41 A1H4A 3  
A1H4A C42 C3  C 0 1 Y N N N N N 7.089  -11.500 -6.818  -4.629 -1.051 2.375  C42 A1H4A 4  
A1H4A C43 C4  C 0 1 Y N N N N N 5.793  -11.127 -7.192  -5.600 -1.662 1.602  C43 A1H4A 5  
A1H4A C44 C5  C 0 1 N N N N N N 5.419  -9.666  -7.070  -6.172 -2.990 2.027  C44 A1H4A 6  
A1H4A C55 C6  C 0 1 N N N N N N 3.521  -11.709 -8.222  -7.111 -1.727 -0.393 C55 A1H4A 7  
A1H4A C59 C7  C 0 1 Y N N N N N 5.377  -13.386 -7.908  -5.537 0.163  0.053  C59 A1H4A 8  
A1H4A C60 C8  C 0 1 Y N N N N N 6.637  -16.085 -8.716  -2.591 2.220  0.029  C60 A1H4A 9  
A1H4A C11 C9  C 0 1 N N N N N N 6.907  -20.541 -19.925 9.236  2.866  1.694  C11 A1H4A 10 
A1H4A C13 C10 C 0 1 N N N N N N 5.092  -22.062 -20.216 10.329 2.549  -0.413 C13 A1H4A 11 
A1H4A C14 C11 C 0 1 N N N N N N 4.586  -21.794 -18.773 9.314  1.468  -0.791 C14 A1H4A 12 
A1H4A C16 C12 C 0 1 N N N N N N 2.480  -15.724 -14.106 2.642  -1.122 -1.842 C16 A1H4A 13 
A1H4A C17 C13 C 0 1 N N N N N N 1.580  -15.141 -12.988 1.330  -1.724 -2.442 C17 A1H4A 14 
A1H4A C21 C14 C 0 1 Y N N N N N 0.638  -12.038 -11.554 1.884  -3.993 0.273  C21 A1H4A 15 
A1H4A C22 C15 C 0 1 Y N N N N N -0.465 -12.851 -11.271 1.382  -3.967 1.560  C22 A1H4A 16 
A1H4A C23 C16 C 0 1 Y N N N N N -1.322 -12.516 -10.218 2.246  -3.977 2.639  C23 A1H4A 17 
A1H4A C24 C17 C 0 1 Y N N N N N -1.083 -11.402 -9.431  3.612  -4.013 2.430  C24 A1H4A 18 
A1H4A C25 C18 C 0 1 Y N N N N N -0.005 -10.580 -9.748  4.114  -4.039 1.143  C25 A1H4A 19 
A1H4A C26 C19 C 0 1 Y N N N N N 0.859  -10.902 -10.797 3.250  -4.028 0.064  C26 A1H4A 20 
A1H4A C28 C20 C 0 1 N N N N N N 3.459  -14.109 -11.564 -0.610 -1.634 -0.901 C28 A1H4A 21 
A1H4A C29 C21 C 0 1 N N N N N N 4.607  -14.857 -12.304 -0.102 -0.799 0.181  C29 A1H4A 22 
A1H4A C30 C22 C 0 1 Y N N N N N 5.661  -16.990 -10.453 -0.490 1.965  -0.458 C30 A1H4A 23 
A1H4A N3  N1  N 0 1 N N N N N N 4.290  -16.287 -12.469 1.015  0.042  -0.320 N3  A1H4A 24 
A1H4A C4  C23 C 0 1 N N S N N N 3.503  -16.779 -13.613 2.293  -0.573 -0.420 C4  A1H4A 25 
A1H4A C5  C24 C 0 1 N N N N N N 4.417  -17.352 -14.678 3.340  0.437  -0.029 C5  A1H4A 26 
A1H4A N6  N2  N 0 1 N N N N N N 3.957  -18.253 -15.554 4.628  0.241  -0.374 N6  A1H4A 27 
A1H4A C7  C25 C 0 1 N N N N N N 4.917  -18.753 -16.523 5.647  1.223  0.007  C7  A1H4A 28 
A1H4A C8  C26 C 0 1 N N N N N N 4.589  -20.203 -16.887 7.014  0.764  -0.503 C8  A1H4A 29 
A1H4A N9  N3  N 0 1 N N N N N N 5.051  -20.477 -18.272 8.035  1.748  -0.122 N9  A1H4A 30 
A1H4A C10 C27 C 0 1 N N N N N N 6.509  -20.287 -18.451 8.209  1.788  1.337  C10 A1H4A 31 
A1H4A O12 O2  O 0 1 N N N N N N 6.519  -21.868 -20.323 10.462 2.595  1.010  O12 A1H4A 32 
A1H4A O15 O3  O 0 1 N N N N N N 5.585  -16.990 -14.713 3.024  1.427  0.597  O15 A1H4A 33 
A1H4A N18 N4  N 0 1 N N N N N N 2.277  -13.951 -12.439 0.507  -2.405 -1.505 N18 A1H4A 34 
A1H4A S19 S1  S 0 1 N N N N N N 1.773  -12.387 -12.872 0.782  -3.988 -1.103 S19 A1H4A 35 
A1H4A O20 O4  O 0 1 N N N N N N 2.836  -11.416 -12.747 1.496  -4.560 -2.190 O20 A1H4A 36 
A1H4A O27 O5  O 0 1 N N N N N N 1.057  -12.456 -14.125 -0.454 -4.502 -0.628 O27 A1H4A 37 
A1H4A C31 C28 C 0 1 Y N N N N N 6.472  -17.882 -9.863  -0.784 3.283  -0.652 C31 A1H4A 38 
A1H4A N32 N5  N 0 1 Y N N N N N 7.031  -17.319 -8.821  -2.103 3.448  -0.349 N32 A1H4A 39 
A1H4A C33 C29 C 0 1 Y N N N N N 7.902  -17.879 -8.015  -2.917 4.539  -0.365 C33 A1H4A 40 
A1H4A C34 C30 C 0 1 Y N N N N N 8.440  -17.152 -7.012  -4.240 4.446  -0.008 C34 A1H4A 41 
A1H4A C35 C31 C 0 1 N N N N N N 9.421  -17.738 -6.108  -5.091 5.650  -0.038 C35 A1H4A 42 
A1H4A O36 O6  O 0 1 N N N N N N 9.853  -16.979 -5.105  -6.389 5.567  0.311  O36 A1H4A 43 
A1H4A O37 O7  O 0 1 N N N N N N 9.770  -18.903 -6.258  -4.621 6.718  -0.379 O37 A1H4A 44 
A1H4A C38 C32 C 0 1 Y N N N N N 8.021  -15.749 -6.795  -4.794 3.206  0.389  C38 A1H4A 45 
A1H4A C39 C33 C 0 1 Y N N N N N 7.134  -15.202 -7.645  -4.000 2.093  0.415  C39 A1H4A 46 
A1H4A C40 C34 C 0 1 Y N N N N N 6.662  -13.769 -7.519  -4.553 0.781  0.825  C40 A1H4A 47 
A1H4A C54 C35 C 0 1 Y N N N N N 4.936  -12.070 -7.768  -6.049 -1.058 0.441  C54 A1H4A 48 
A1H4A F56 F1  F 0 1 N N N N N N 2.861  -12.818 -8.615  -8.264 -1.907 0.379  F56 A1H4A 49 
A1H4A F57 F2  F 0 1 N N N N N N 2.800  -11.073 -7.255  -7.411 -0.924 -1.498 F57 A1H4A 50 
A1H4A F58 F3  F 0 1 N N N N N N 3.592  -10.905 -9.297  -6.645 -2.970 -0.832 F58 A1H4A 51 
A1H4A N61 N6  N 0 1 Y N N N N N 5.831  -15.829 -9.630  -1.612 1.341  -0.046 N61 A1H4A 52 
A1H4A H1  H1  H 0 1 N N N N N N 8.534  -13.084 -6.710  -3.343 0.641  2.596  H1  A1H4A 53 
A1H4A H2  H2  H 0 1 N N N N N N 7.756  -10.764 -6.393  -4.283 -1.527 3.281  H2  A1H4A 54 
A1H4A H3  H3  H 0 1 N N N N N N 4.958  -9.486  -6.088  -7.041 -2.824 2.663  H3  A1H4A 55 
A1H4A H4  H4  H 0 1 N N N N N N 6.323  -9.047  -7.170  -6.471 -3.556 1.144  H4  A1H4A 56 
A1H4A H5  H5  H 0 1 N N N N N N 4.705  -9.403  -7.864  -5.418 -3.550 2.579  H5  A1H4A 57 
A1H4A H6  H6  H 0 1 N N N N N N 4.710  -14.125 -8.327  -5.898 0.640  -0.846 H6  A1H4A 58 
A1H4A H7  H7  H 0 1 N N N N N N 7.997  -20.434 -20.031 8.859  3.843  1.391  H7  A1H4A 59 
A1H4A H8  H8  H 0 1 N N N N N N 6.402  -19.806 -20.569 9.410  2.861  2.770  H8  A1H4A 60 
A1H4A H9  H9  H 0 1 N N N N N N 4.585  -21.372 -20.906 11.295 2.315  -0.862 H9  A1H4A 61 
A1H4A H10 H10 H 0 1 N N N N N N 4.851  -23.099 -20.492 9.984  3.517  -0.778 H10 A1H4A 62 
A1H4A H11 H11 H 0 1 N N N N N N 3.486  -21.810 -18.771 9.166  1.469  -1.872 H11 A1H4A 63 
A1H4A H12 H12 H 0 1 N N N N N N 4.965  -22.584 -18.108 9.684  0.493  -0.475 H12 A1H4A 64 
A1H4A H13 H13 H 0 1 N N N N N N 3.035  -14.895 -14.569 3.404  -1.898 -1.763 H13 A1H4A 65 
A1H4A H14 H14 H 0 1 N N N N N N 1.832  -16.197 -14.859 3.002  -0.311 -2.475 H14 A1H4A 66 
A1H4A H15 H15 H 0 1 N N N N N N 0.605  -14.848 -13.404 0.750  -0.914 -2.885 H15 A1H4A 67 
A1H4A H16 H16 H 0 1 N N N N N N 1.431  -15.889 -12.196 1.601  -2.422 -3.234 H16 A1H4A 68 
A1H4A H17 H17 H 0 1 N N N N N N -0.654 -13.734 -11.864 0.315  -3.939 1.724  H17 A1H4A 69 
A1H4A H18 H18 H 0 1 N N N N N N -2.183 -13.135 -10.016 1.854  -3.956 3.645  H18 A1H4A 70 
A1H4A H19 H19 H 0 1 N N N N N N -1.720 -11.175 -8.589  4.287  -4.020 3.273  H19 A1H4A 71 
A1H4A H20 H20 H 0 1 N N N N N N 0.166  -9.681  -9.175  5.181  -4.067 0.979  H20 A1H4A 72 
A1H4A H21 H21 H 0 1 N N N N N N 1.701  -10.263 -11.017 3.642  -4.048 -0.942 H21 A1H4A 73 
A1H4A H22 H22 H 0 1 N N N N N N 3.816  -13.114 -11.259 -1.356 -2.325 -0.507 H22 A1H4A 74 
A1H4A H23 H23 H 0 1 N N N N N N 3.171  -14.685 -10.672 -1.068 -1.003 -1.662 H23 A1H4A 75 
A1H4A H24 H24 H 0 1 N N N N N N 5.534  -14.760 -11.720 -0.902 -0.157 0.550  H24 A1H4A 76 
A1H4A H25 H25 H 0 1 N N N N N N 4.750  -14.404 -13.296 0.258  -1.433 0.991  H25 A1H4A 77 
A1H4A H26 H26 H 0 1 N N N N N N 2.904  -17.623 -13.241 2.334  -1.400 0.289  H26 A1H4A 78 
A1H4A H27 H27 H 0 1 N N N N N N 3.007  -18.564 -15.542 4.881  -0.551 -0.874 H27 A1H4A 79 
A1H4A H28 H28 H 0 1 N N N N N N 5.928  -18.706 -16.092 5.401  2.190  -0.432 H28 A1H4A 80 
A1H4A H29 H29 H 0 1 N N N N N N 4.876  -18.132 -17.430 5.676  1.314  1.093  H29 A1H4A 81 
A1H4A H30 H30 H 0 1 N N N N N N 3.502  -20.361 -16.824 7.260  -0.203 -0.064 H30 A1H4A 82 
A1H4A H31 H31 H 0 1 N N N N N N 5.099  -20.882 -16.188 6.985  0.673  -1.589 H31 A1H4A 83 
A1H4A H33 H33 H 0 1 N N N N N N 7.049  -20.993 -17.803 8.562  0.818  1.688  H33 A1H4A 84 
A1H4A H34 H34 H 0 1 N N N N N N 6.777  -19.256 -18.175 7.256  2.022  1.811  H34 A1H4A 85 
A1H4A H35 H35 H 0 1 N N N N N N 6.637  -18.897 -10.193 -0.100 4.051  -0.982 H35 A1H4A 86 
A1H4A H36 H36 H 0 1 N N N N N N 8.186  -18.912 -8.152  -2.514 5.495  -0.665 H36 A1H4A 87 
A1H4A H37 H37 H 0 1 N N N N N N 10.447 -17.481 -4.560  -6.907 6.383  0.275  H37 A1H4A 88 
A1H4A H38 H38 H 0 1 N N N N N N 8.420  -15.176 -5.971  -5.835 3.140  0.669  H38 A1H4A 89 
# 
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 
A1H4A O12 C13 SING N N 1  
A1H4A O12 C11 SING N N 2  
A1H4A C13 C14 SING N N 3  
A1H4A C11 C10 SING N N 4  
A1H4A C14 N9  SING N N 5  
A1H4A C10 N9  SING N N 6  
A1H4A N9  C8  SING N N 7  
A1H4A C8  C7  SING N N 8  
A1H4A C7  N6  SING N N 9  
A1H4A N6  C5  SING N N 10 
A1H4A O15 C5  DOUB N N 11 
A1H4A C5  C4  SING N N 12 
A1H4A O27 S19 DOUB N N 13 
A1H4A C16 C4  SING N N 14 
A1H4A C16 C17 SING N N 15 
A1H4A C4  N3  SING N N 16 
A1H4A C17 N18 SING N N 17 
A1H4A S19 O20 DOUB N N 18 
A1H4A S19 N18 SING N N 19 
A1H4A S19 C21 SING N N 20 
A1H4A N3  C29 SING N N 21 
A1H4A N3  C2  SING N N 22 
A1H4A N18 C28 SING N N 23 
A1H4A C29 C28 SING N N 24 
A1H4A O1  C2  DOUB N N 25 
A1H4A C2  C30 SING N N 26 
A1H4A C21 C22 DOUB Y N 27 
A1H4A C21 C26 SING Y N 28 
A1H4A C22 C23 SING Y N 29 
A1H4A C26 C25 DOUB Y N 30 
A1H4A C30 C31 DOUB Y N 31 
A1H4A C30 N61 SING Y N 32 
A1H4A C23 C24 DOUB Y N 33 
A1H4A C31 N32 SING Y N 34 
A1H4A C25 C24 SING Y N 35 
A1H4A N61 C60 DOUB Y N 36 
A1H4A F58 C55 SING N N 37 
A1H4A N32 C60 SING Y N 38 
A1H4A N32 C33 SING Y N 39 
A1H4A C60 C39 SING Y N 40 
A1H4A F56 C55 SING N N 41 
A1H4A C55 C54 SING N N 42 
A1H4A C55 F57 SING N N 43 
A1H4A C33 C34 DOUB Y N 44 
A1H4A C59 C54 DOUB Y N 45 
A1H4A C59 C40 SING Y N 46 
A1H4A C54 C43 SING Y N 47 
A1H4A C39 C40 SING N N 48 
A1H4A C39 C38 DOUB Y N 49 
A1H4A C40 C41 DOUB Y N 50 
A1H4A C43 C44 SING N N 51 
A1H4A C43 C42 DOUB Y N 52 
A1H4A C34 C38 SING Y N 53 
A1H4A C34 C35 SING N N 54 
A1H4A C41 C42 SING Y N 55 
A1H4A O37 C35 DOUB N N 56 
A1H4A C35 O36 SING N N 57 
A1H4A C41 H1  SING N N 58 
A1H4A C42 H2  SING N N 59 
A1H4A C44 H3  SING N N 60 
A1H4A C44 H4  SING N N 61 
A1H4A C44 H5  SING N N 62 
A1H4A C59 H6  SING N N 63 
A1H4A C11 H7  SING N N 64 
A1H4A C11 H8  SING N N 65 
A1H4A C13 H9  SING N N 66 
A1H4A C13 H10 SING N N 67 
A1H4A C14 H11 SING N N 68 
A1H4A C14 H12 SING N N 69 
A1H4A C16 H13 SING N N 70 
A1H4A C16 H14 SING N N 71 
A1H4A C17 H15 SING N N 72 
A1H4A C17 H16 SING N N 73 
A1H4A C22 H17 SING N N 74 
A1H4A C23 H18 SING N N 75 
A1H4A C24 H19 SING N N 76 
A1H4A C25 H20 SING N N 77 
A1H4A C26 H21 SING N N 78 
A1H4A C28 H22 SING N N 79 
A1H4A C28 H23 SING N N 80 
A1H4A C29 H24 SING N N 81 
A1H4A C29 H25 SING N N 82 
A1H4A C4  H26 SING N N 83 
A1H4A N6  H27 SING N N 84 
A1H4A C7  H28 SING N N 85 
A1H4A C7  H29 SING N N 86 
A1H4A C8  H30 SING N N 87 
A1H4A C8  H31 SING N N 88 
A1H4A C10 H33 SING N N 89 
A1H4A C10 H34 SING N N 90 
A1H4A C31 H35 SING N N 91 
A1H4A C33 H36 SING N N 92 
A1H4A O36 H37 SING N N 93 
A1H4A C38 H38 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 
A1H4A InChI            InChI                1.06  "InChI=1S/C35H37F3N6O7S/c1-23-7-8-24(20-28(23)35(36,37)38)27-19-25(34(47)48)21-42-22-29(40-31(27)42)33(46)44-14-13-43(52(49,50)26-5-3-2-4-6-26)11-9-30(44)32(45)39-10-12-41-15-17-51-18-16-41/h2-8,19-22,30H,9-18H2,1H3,(H,39,45)(H,47,48)/t30-/m0/s1" 
A1H4A InChIKey         InChI                1.06  CYRHEZSFDUZNDQ-PMERELPUSA-N                                                                                                                                                                                                                            
A1H4A SMILES_CANONICAL CACTVS               3.385 "Cc1ccc(cc1C(F)(F)F)c2cc(cn3cc(nc23)C(=O)N4CCN(CC[C@H]4C(=O)NCCN5CCOCC5)[S](=O)(=O)c6ccccc6)C(O)=O"                                                                                                                                                    
A1H4A SMILES           CACTVS               3.385 "Cc1ccc(cc1C(F)(F)F)c2cc(cn3cc(nc23)C(=O)N4CCN(CC[CH]4C(=O)NCCN5CCOCC5)[S](=O)(=O)c6ccccc6)C(O)=O"                                                                                                                                                     
A1H4A SMILES_CANONICAL "OpenEye OEToolkits" 2.0.7 "Cc1ccc(cc1C(F)(F)F)c2cc(cn3c2nc(c3)C(=O)N4CCN(CC[C@H]4C(=O)NCCN5CCOCC5)S(=O)(=O)c6ccccc6)C(=O)O"                                                                                                                                                      
A1H4A SMILES           "OpenEye OEToolkits" 2.0.7 "Cc1ccc(cc1C(F)(F)F)c2cc(cn3c2nc(c3)C(=O)N4CCN(CCC4C(=O)NCCN5CCOCC5)S(=O)(=O)c6ccccc6)C(=O)O"                                                                                                                                                          
# 
_pdbx_chem_comp_identifier.comp_id           A1H4A 
_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        "8-[4-methyl-3-(trifluoromethyl)phenyl]-2-[[(7~{S})-7-(2-morpholin-4-ylethylcarbamoyl)-4-(phenylsulfonyl)-1,4-diazepan-1-yl]carbonyl]imidazo[1,2-a]pyridine-6-carboxylic 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 
A1H4A "Create component" 2024-02-13 PDBE 
A1H4A "Initial release"  2024-05-22 RCSB 
A1H4A "Modify PCM"       2024-09-27 PDBE 
# 
_pdbx_chem_comp_pcm.pcm_id                             1 
_pdbx_chem_comp_pcm.comp_id                            A1H4A 
_pdbx_chem_comp_pcm.modified_residue_id                LYS 
_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               C44 
_pdbx_chem_comp_pcm.modified_residue_id_linking_atom   NZ 
_pdbx_chem_comp_pcm.uniprot_specific_ptm_accession     ? 
_pdbx_chem_comp_pcm.uniprot_generic_ptm_accession      ? 
# 
