data_A1BY8
# 
_chem_comp.id                                    A1BY8 
_chem_comp.name                                  "C16 alpha-bromoamide" 
_chem_comp.type                                  non-polymer 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C27 H53 Br N3 O8 P" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2025-03-05 
_chem_comp.pdbx_modified_date                    2025-08-08 
_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                        658.603 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     A1BY8 
_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        9D2Y 
_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 
A1BY8 C4  C1  C  0 1 N N N N N N 169.900 174.820 203.554 16.200  3.230  -0.160 C4  A1BY8 1  
A1BY8 C14 C2  C  0 1 N N N N N N 172.941 183.797 208.250 4.530   -1.193 -0.698 C14 A1BY8 2  
A1BY8 C5  C3  C  0 1 N N N N N N 169.630 175.986 202.610 15.189  2.290  0.499  C5  A1BY8 3  
A1BY8 C6  C4  C  0 1 N N N N N N 170.276 177.314 202.986 13.866  2.345  -0.268 C6  A1BY8 4  
A1BY8 C11 C5  C  0 1 N N N N N N 172.519 181.483 205.098 8.186   -0.364 0.176  C11 A1BY8 5  
A1BY8 C7  C6  C  0 1 N N N N N N 169.701 178.519 202.251 12.855  1.405  0.391  C7  A1BY8 6  
A1BY8 C8  C7  C  0 1 N N N N N N 170.635 179.713 202.094 11.532  1.461  -0.376 C8  A1BY8 7  
A1BY8 C9  C8  C  0 1 N N N N N N 171.534 179.973 203.295 10.521  0.521  0.283  C9  A1BY8 8  
A1BY8 C10 C9  C  0 1 N N N N N N 171.632 181.383 203.861 9.198   0.576  -0.483 C10 A1BY8 9  
A1BY8 C12 C10 C  0 1 N N N N N N 172.250 182.648 206.044 6.864   -0.308 -0.591 C12 A1BY8 10 
A1BY8 C13 C11 C  0 1 N N N N N N 172.880 182.513 207.427 5.852   -1.248 0.068  C13 A1BY8 11 
A1BY8 N1  N1  N  0 1 N N N N N N 171.863 185.781 210.176 1.057   -1.893 0.021  N1  A1BY8 12 
A1BY8 N2  N2  N  0 1 N N N N N N 170.509 187.565 210.589 -2.646  -1.524 -0.241 N2  A1BY8 13 
A1BY8 C3  C12 C  0 1 N N N N N N 169.614 173.450 202.951 17.523  3.175  0.606  C3  A1BY8 14 
A1BY8 N3  N3  N  0 1 N N N N N N 168.738 190.807 208.045 -7.509  -1.057 0.217  N3  A1BY8 15 
A1BY8 C1  C13 C  0 1 N N N N N N 167.729 171.724 202.735 19.857  4.059  0.714  C1  A1BY8 16 
A1BY8 C15 C14 C  0 1 N N S N N N 172.898 183.562 209.752 3.518   -2.133 -0.039 C15 A1BY8 17 
A1BY8 C16 C15 C  0 1 N N N N N N 172.832 184.855 210.537 2.181   -1.987 -0.718 C16 A1BY8 18 
A1BY8 C17 C16 C  0 1 N N N N N N 172.459 187.031 209.736 -0.243  -1.751 -0.639 C17 A1BY8 19 
A1BY8 C18 C17 C  0 1 N N N N N N 171.910 187.892 210.788 -1.345  -1.666 0.419  C18 A1BY8 20 
A1BY8 C19 C18 C  0 1 N N N N N N 169.715 188.643 210.540 -3.769  -1.430 0.497  C19 A1BY8 21 
A1BY8 C2  C19 C  0 1 N N N N N N 168.537 172.630 203.648 18.534  4.115  -0.053 C2  A1BY8 22 
A1BY8 C20 C20 C  0 1 N N N N N N 168.753 188.748 209.388 -5.107  -1.284 -0.181 C20 A1BY8 23 
A1BY8 C21 C21 C  0 1 N N N N N N 169.532 189.682 208.514 -6.209  -1.199 0.877  C21 A1BY8 24 
A1BY8 C22 C22 C  0 1 N N N N N N 168.501 190.956 206.754 -8.633  -0.963 0.956  C22 A1BY8 25 
A1BY8 C23 C23 C  0 1 N N R N N N 167.069 191.339 206.351 -9.956  -0.701 0.284  C23 A1BY8 26 
A1BY8 C24 C24 C  0 1 N N N N N N 166.441 190.911 204.983 -10.410 0.727  0.590  C24 A1BY8 27 
A1BY8 C25 C25 C  0 1 N N N N N N 165.478 189.735 205.176 -10.706 0.859  2.085  C25 A1BY8 28 
A1BY8 C26 C26 C  0 1 N N N N N N 167.447 190.436 203.931 -9.303  1.709  0.200  C26 A1BY8 29 
A1BY8 C27 C27 C  0 1 N N N N N N 165.684 192.025 204.251 -11.675 1.043  -0.210 C27 A1BY8 30 
A1BY8 O1  O1  O  0 1 N N N N N N 173.780 185.013 211.445 2.115   -1.955 -1.929 O1  A1BY8 31 
A1BY8 O2  O2  O  0 1 N N N N N N 169.855 189.598 211.314 -3.704  -1.462 1.708  O2  A1BY8 32 
A1BY8 O3  O3  O  0 1 N N N N N N 169.409 190.897 205.934 -8.579  -1.088 2.161  O3  A1BY8 33 
A1BY8 O4  O4  O  0 1 N N N N N N 166.214 190.781 207.335 -9.814  -0.864 -1.129 O4  A1BY8 34 
A1BY8 O5  O5  O  0 1 N N N N N N 165.002 193.098 204.977 -12.099 2.377  0.075  O5  A1BY8 35 
A1BY8 O6  O6  O  0 1 N N N N N N 163.038 194.177 206.138 -13.298 2.963  -2.068 O6  A1BY8 36 
A1BY8 O8  O7  O  0 1 N N N N N N 164.068 192.091 207.152 -14.720 2.259  -0.105 O8  A1BY8 37 
A1BY8 P1  P1  P  0 1 N N N N N N 163.680 192.825 205.881 -13.403 3.045  -0.594 P1  A1BY8 38 
A1BY8 H1  H1  H  0 1 N N N N N N 170.959 174.853 203.849 16.365  2.920  -1.192 H1  A1BY8 39 
A1BY8 H2  H2  H  0 1 N N N N N N 169.267 174.944 204.445 15.813  4.249  -0.144 H2  A1BY8 40 
A1BY8 H3  H3  H  0 1 N N N N N N 173.877 184.321 208.007 4.143   -0.174 -0.682 H3  A1BY8 41 
A1BY8 H4  H4  H  0 1 N N N N N N 172.084 184.429 207.972 4.694   -1.503 -1.730 H4  A1BY8 42 
A1BY8 H5  H5  H  0 1 N N N N N N 168.542 176.141 202.569 15.576  1.271  0.483  H5  A1BY8 43 
A1BY8 H6  H6  H  0 1 N N N N N N 169.998 175.703 201.613 15.024  2.600  1.531  H6  A1BY8 44 
A1BY8 H7  H7  H  0 1 N N N N N N 171.350 177.252 202.758 13.479  3.364  -0.252 H7  A1BY8 45 
A1BY8 H8  H8  H  0 1 N N N N N N 170.138 177.471 204.066 14.031  2.036  -1.300 H8  A1BY8 46 
A1BY8 H9  H9  H  0 1 N N N N N N 172.396 180.553 205.672 8.573   -1.383 0.160  H9  A1BY8 47 
A1BY8 H10 H10 H  0 1 N N N N N N 173.561 181.567 204.755 8.022   -0.054 1.208  H10 A1BY8 48 
A1BY8 H11 H11 H  0 1 N N N N N N 168.812 178.857 202.803 13.242  0.387  0.375  H11 A1BY8 49 
A1BY8 H12 H12 H  0 1 N N N N N N 169.404 178.189 201.245 12.690  1.715  1.423  H12 A1BY8 50 
A1BY8 H13 H13 H  0 1 N N N N N N 171.275 179.535 201.217 11.145  2.480  -0.359 H13 A1BY8 51 
A1BY8 H14 H14 H  0 1 N N N N N N 170.021 180.610 201.924 11.697  1.151  -1.408 H14 A1BY8 52 
A1BY8 H15 H15 H  0 1 N N N N N N 171.178 179.325 204.109 10.908  -0.498 0.267  H15 A1BY8 53 
A1BY8 H16 H16 H  0 1 N N N N N N 172.552 179.672 203.005 10.356  0.831  1.316  H16 A1BY8 54 
A1BY8 H17 H17 H  0 1 N N N N N N 172.044 182.042 203.083 9.363   0.266  -1.515 H17 A1BY8 55 
A1BY8 H18 H18 H  0 1 N N N N N N 170.620 181.721 204.130 8.811   1.595  -0.467 H18 A1BY8 56 
A1BY8 H19 H19 H  0 1 N N N N N N 172.642 183.564 205.578 6.477   0.711  -0.575 H19 A1BY8 57 
A1BY8 H20 H20 H  0 1 N N N N N N 171.161 182.739 206.172 7.029   -0.618 -1.623 H20 A1BY8 58 
A1BY8 H21 H21 H  0 1 N N N N N N 172.296 181.774 207.995 5.687   -0.939 1.100  H21 A1BY8 59 
A1BY8 H22 H22 H  0 1 N N N N N N 173.908 182.145 207.296 6.239   -2.267 0.052  H22 A1BY8 60 
A1BY8 H23 H23 H  0 1 N N N N N N 170.879 185.609 210.214 1.109   -1.919 0.989  H23 A1BY8 61 
A1BY8 H24 H24 H  0 1 N N N N N N 170.171 186.628 210.498 -2.698  -1.498 -1.209 H24 A1BY8 62 
A1BY8 H25 H25 H  0 1 N N N N N N 169.301 173.600 201.907 17.358  3.484  1.638  H25 A1BY8 63 
A1BY8 H26 H26 H  0 1 N N N N N N 170.548 172.869 202.974 17.910  2.156  0.590  H26 A1BY8 64 
A1BY8 H27 H27 H  0 1 N N N N N N 168.371 191.468 208.700 -7.562  -1.031 -0.751 H27 A1BY8 65 
A1BY8 H28 H28 H  0 1 N N N N N N 166.981 171.177 203.328 20.244  3.040  0.698  H28 A1BY8 66 
A1BY8 H29 H29 H  0 1 N N N N N N 167.219 172.332 201.973 20.578  4.729  0.244  H29 A1BY8 67 
A1BY8 H30 H30 H  0 1 N N N N N N 168.402 171.007 202.242 19.692  4.369  1.746  H30 A1BY8 68 
A1BY8 BR1 BR1 BR 0 0 N Y N N N N 171.919 183.091 209.923 4.141   -3.990 -0.211 BR1 A1BY8 69 
A1BY8 H33 H33 H  0 1 N N N N N N 173.558 186.999 209.754 -0.248  -0.844 -1.243 H33 A1BY8 70 
A1BY8 H34 H34 H  0 1 N N N N N N 172.117 187.327 208.733 -0.421  -2.615 -1.280 H34 A1BY8 71 
A1BY8 H35 H35 H  0 1 N N N N N N 172.268 187.610 211.789 -1.167  -0.803 1.060  H35 A1BY8 72 
A1BY8 H36 H36 H  0 1 N N N N N N 172.121 188.957 210.610 -1.341  -2.574 1.022  H36 A1BY8 73 
A1BY8 H37 H37 H  0 1 N N N N N N 167.842 173.327 204.139 18.699  3.805  -1.085 H37 A1BY8 74 
A1BY8 H38 H38 H  0 1 N N N N N N 169.025 172.002 204.408 18.148  5.134  -0.037 H38 A1BY8 75 
A1BY8 H39 H39 H  0 1 N N N N N N 167.788 189.179 209.695 -5.111  -0.377 -0.785 H39 A1BY8 76 
A1BY8 H40 H40 H  0 1 N N N N N N 168.583 187.775 208.903 -5.285  -2.148 -0.822 H40 A1BY8 77 
A1BY8 H41 H41 H  0 1 N N N N N N 169.899 189.123 207.641 -6.031  -0.336 1.518  H41 A1BY8 78 
A1BY8 H42 H42 H  0 1 N N N N N N 170.387 190.070 209.088 -6.205  -2.107 1.480  H42 A1BY8 79 
A1BY8 H43 H43 H  0 1 N N N N N N 166.999 192.435 206.405 -10.699 -1.406 0.657  H43 A1BY8 80 
A1BY8 H44 H44 H  0 1 N N N N N N 164.718 190.002 205.925 -9.786  0.711  2.651  H44 A1BY8 81 
A1BY8 H45 H45 H  0 1 N N N N N N 164.985 189.504 204.220 -11.103 1.853  2.290  H45 A1BY8 82 
A1BY8 H46 H46 H  0 1 N N N N N N 166.039 188.854 205.521 -11.438 0.108  2.378  H46 A1BY8 83 
A1BY8 H47 H47 H  0 1 N N N N N N 168.058 189.622 204.349 -8.401  1.484  0.770  H47 A1BY8 84 
A1BY8 H48 H48 H  0 1 N N N N N N 166.906 190.071 203.045 -9.092  1.614  -0.865 H48 A1BY8 85 
A1BY8 H49 H49 H  0 1 N N N N N N 168.099 191.274 203.643 -9.626  2.726  0.418  H49 A1BY8 86 
A1BY8 H50 H50 H  0 1 N N N N N N 164.916 191.528 203.641 -11.465 0.948  -1.276 H50 A1BY8 87 
A1BY8 H51 H51 H  0 1 N N N N N N 166.416 192.514 203.591 -12.465 0.344  0.067  H51 A1BY8 88 
A1BY8 H52 H52 H  0 1 N N N N N N 166.538 191.003 208.200 -9.167  -0.267 -1.530 H52 A1BY8 89 
A1BY8 H54 H54 H  0 1 N N N N N N 163.836 192.619 207.907 -14.852 2.272  0.853  H54 A1BY8 90 
A1BY8 H31 H31 H  0 1 N Y N N N N 173.789 182.994 210.057 3.420   -1.879 1.016  H31 A1BY8 91 
A1BY8 O7  O8  O  0 1 N Y N N N N 162.616 191.835 205.186 -13.503 4.589  -0.148 O7  A1BY8 92 
A1BY8 H32 H32 H  0 1 N N N N N N 161.789 192.289 205.070 -14.266 5.056  -0.515 H32 A1BY8 93 
# 
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 
A1BY8 C8  C7  SING N N 1  
A1BY8 C8  C9  SING N N 2  
A1BY8 C7  C6  SING N N 3  
A1BY8 C5  C6  SING N N 4  
A1BY8 C5  C4  SING N N 5  
A1BY8 C1  C2  SING N N 6  
A1BY8 C3  C4  SING N N 7  
A1BY8 C3  C2  SING N N 8  
A1BY8 C9  C10 SING N N 9  
A1BY8 C10 C11 SING N N 10 
A1BY8 C26 C24 SING N N 11 
A1BY8 C27 O5  SING N N 12 
A1BY8 C27 C24 SING N N 13 
A1BY8 O5  P1  SING N N 14 
A1BY8 C24 C25 SING N N 15 
A1BY8 C24 C23 SING N N 16 
A1BY8 C11 C12 SING N N 17 
A1BY8 P1  O6  DOUB N N 18 
A1BY8 P1  O8  SING N N 19 
A1BY8 O3  C22 DOUB N N 20 
A1BY8 C12 C13 SING N N 21 
A1BY8 C23 C22 SING N N 22 
A1BY8 C23 O4  SING N N 23 
A1BY8 C22 N3  SING N N 24 
A1BY8 C13 C14 SING N N 25 
A1BY8 N3  C21 SING N N 26 
A1BY8 C14 C15 SING N N 27 
A1BY8 C21 C20 SING N N 28 
A1BY8 C20 C19 SING N N 29 
A1BY8 C17 N1  SING N N 30 
A1BY8 C17 C18 SING N N 31 
A1BY8 C15 C16 SING N N 32 
A1BY8 N1  C16 SING N N 33 
A1BY8 C16 O1  DOUB N N 34 
A1BY8 C19 N2  SING N N 35 
A1BY8 C19 O2  DOUB N N 36 
A1BY8 N2  C18 SING N N 37 
A1BY8 C4  H1  SING N N 38 
A1BY8 C4  H2  SING N N 39 
A1BY8 C14 H3  SING N N 40 
A1BY8 C14 H4  SING N N 41 
A1BY8 C5  H5  SING N N 42 
A1BY8 C5  H6  SING N N 43 
A1BY8 C6  H7  SING N N 44 
A1BY8 C6  H8  SING N N 45 
A1BY8 C11 H9  SING N N 46 
A1BY8 C11 H10 SING N N 47 
A1BY8 C7  H11 SING N N 48 
A1BY8 C7  H12 SING N N 49 
A1BY8 C8  H13 SING N N 50 
A1BY8 C8  H14 SING N N 51 
A1BY8 C9  H15 SING N N 52 
A1BY8 C9  H16 SING N N 53 
A1BY8 C10 H17 SING N N 54 
A1BY8 C10 H18 SING N N 55 
A1BY8 C12 H19 SING N N 56 
A1BY8 C12 H20 SING N N 57 
A1BY8 C13 H21 SING N N 58 
A1BY8 C13 H22 SING N N 59 
A1BY8 N1  H23 SING N N 60 
A1BY8 N2  H24 SING N N 61 
A1BY8 C3  H25 SING N N 62 
A1BY8 C3  H26 SING N N 63 
A1BY8 N3  H27 SING N N 64 
A1BY8 C1  H28 SING N N 65 
A1BY8 C1  H29 SING N N 66 
A1BY8 C1  H30 SING N N 67 
A1BY8 C15 BR1 SING N N 68 
A1BY8 C17 H33 SING N N 69 
A1BY8 C17 H34 SING N N 70 
A1BY8 C18 H35 SING N N 71 
A1BY8 C18 H36 SING N N 72 
A1BY8 C2  H37 SING N N 73 
A1BY8 C2  H38 SING N N 74 
A1BY8 C20 H39 SING N N 75 
A1BY8 C20 H40 SING N N 76 
A1BY8 C21 H41 SING N N 77 
A1BY8 C21 H42 SING N N 78 
A1BY8 C23 H43 SING N N 79 
A1BY8 C25 H44 SING N N 80 
A1BY8 C25 H45 SING N N 81 
A1BY8 C25 H46 SING N N 82 
A1BY8 C26 H47 SING N N 83 
A1BY8 C26 H48 SING N N 84 
A1BY8 C26 H49 SING N N 85 
A1BY8 C27 H50 SING N N 86 
A1BY8 C27 H51 SING N N 87 
A1BY8 O4  H52 SING N N 88 
A1BY8 O8  H54 SING N N 89 
A1BY8 C15 H31 SING N N 90 
A1BY8 P1  O7  SING N N 91 
A1BY8 O7  H32 SING N N 92 
# 
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 
A1BY8 SMILES           ACDLabs              14.52   "O=P(O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCNC(=O)C(Br)CCCCCCCCCCCCCC"                                                                                                                                                        
A1BY8 InChI            InChI                1.06    "InChI=1S/C27H53BrN3O8P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-22(28)25(34)31-20-19-29-23(32)17-18-30-26(35)24(33)27(2,3)21-39-40(36,37)38/h22,24,33H,4-21H2,1-3H3,(H,29,32)(H,30,35)(H,31,34)(H2,36,37,38)/t22-,24-/m0/s1" 
A1BY8 InChIKey         InChI                1.06    WRZPJKRMVZRMQR-UPVQGACJSA-N                                                                                                                                                                                              
A1BY8 SMILES_CANONICAL CACTVS               3.385   "CCCCCCCCCCCCCC[C@H](Br)C(=O)NCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)CO[P](O)(O)=O"                                                                                                                                              
A1BY8 SMILES           CACTVS               3.385   "CCCCCCCCCCCCCC[CH](Br)C(=O)NCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(O)=O"                                                                                                                                                
A1BY8 SMILES_CANONICAL "OpenEye OEToolkits" 3.1.0.0 "CCCCCCCCCCCCCC[C@@H](C(=O)NCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O)O)Br"                                                                                                                                              
A1BY8 SMILES           "OpenEye OEToolkits" 3.1.0.0 "CCCCCCCCCCCCCCC(C(=O)NCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)O)O)Br"                                                                                                                                                        
# 
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 
A1BY8 "SYSTEMATIC NAME" ACDLabs              14.52   "N-{2-[(2S)-2-bromohexadecanamido]ethyl}-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide"                                                   
A1BY8 "SYSTEMATIC NAME" "OpenEye OEToolkits" 3.1.0.0 "[(3~{R})-4-[[3-[2-[[(2~{S})-2-bromanylhexadecanoyl]amino]ethylamino]-3-oxidanylidene-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] dihydrogen phosphate" 
# 
loop_
_pdbx_chem_comp_pcm.pcm_id 
_pdbx_chem_comp_pcm.comp_id 
_pdbx_chem_comp_pcm.modified_residue_id 
_pdbx_chem_comp_pcm.type 
_pdbx_chem_comp_pcm.category 
_pdbx_chem_comp_pcm.position 
_pdbx_chem_comp_pcm.polypeptide_position 
_pdbx_chem_comp_pcm.comp_id_linking_atom 
_pdbx_chem_comp_pcm.modified_residue_id_linking_atom 
_pdbx_chem_comp_pcm.uniprot_specific_ptm_accession 
_pdbx_chem_comp_pcm.uniprot_generic_ptm_accession 
1 A1BY8 CYS None "Covalent chemical modification" "Amino-acid side chain" "Any position" C15 SG ? ? 
2 A1BY8 SER None "Covalent chemical modification" "Amino-acid side chain" "Any position" P1  OG ? ? 
# 
loop_
_pdbx_chem_comp_audit.comp_id 
_pdbx_chem_comp_audit.action_type 
_pdbx_chem_comp_audit.date 
_pdbx_chem_comp_audit.processing_site 
A1BY8 "Create component"   2025-03-05 RCSB 
A1BY8 "Modify PCM"         2025-03-05 RCSB 
A1BY8 "Other modification" 2025-03-05 RCSB 
A1BY8 "Initial release"    2025-08-13 RCSB 
# 
