data_A1AGQ
# 
_chem_comp.id                                    A1AGQ 
_chem_comp.name                                  "(1R,2S)-2-{[N-({[(2S)-1-{[(1R,2S,4R)-bicyclo[2.2.1]hept-5-en-2-yl]methyl}-5-oxopyrrolidin-2-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid" 
_chem_comp.type                                  non-polymer 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C27 H42 N4 O9 S" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2024-02-29 
_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                        598.709 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     A1AGQ 
_chem_comp.pdbx_model_coordinates_details        ? 
_chem_comp.pdbx_model_coordinates_missing_flag   Y 
_chem_comp.pdbx_ideal_coordinates_details        Corina 
_chem_comp.pdbx_ideal_coordinates_missing_flag   N 
_chem_comp.pdbx_model_coordinates_db_code        9ATH 
_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 
A1AGQ O4  O1  O 0 1 N N N N N N 10.081 -34.330 0.687   -4.060 2.974  1.995  O4  A1AGQ 1  
A1AGQ O3  O2  O 0 1 N N N N N N 12.553 -28.035 0.941   -5.765 -2.281 2.190  O3  A1AGQ 2  
A1AGQ C16 C1  C 0 1 N N N N N N 12.614 -28.620 -0.152  -6.339 -1.646 1.331  C16 A1AGQ 3  
A1AGQ C15 C2  C 0 1 N N S N N N 11.774 -29.820 -0.572  -5.688 -0.619 0.432  C15 A1AGQ 4  
A1AGQ C14 C3  C 0 1 N N N N N N 11.543 -30.834 0.551   -4.780 0.306  1.245  C14 A1AGQ 5  
A1AGQ C13 C4  C 0 1 N N S N N N 10.754 -32.056 0.077   -4.037 1.252  0.299  C13 A1AGQ 6  
A1AGQ C18 C5  C 0 1 N N N N N N 12.541 -30.372 -1.775  -6.876 0.174  -0.161 C18 A1AGQ 7  
A1AGQ C17 C6  C 0 1 N N N N N N 13.208 -29.135 -2.349  -8.023 -0.855 -0.059 C17 A1AGQ 8  
A1AGQ C4  C7  C 0 1 N N S N N N 8.932  -27.417 -6.147  4.705  -2.243 -0.011 C4  A1AGQ 9  
A1AGQ O2  O3  O 0 1 N N N N N N 8.035  -29.023 -4.531  2.330  -1.730 -0.174 O2  A1AGQ 10 
A1AGQ C3  C8  C 0 1 N N N N N N 10.423 -27.695 -6.361  4.317  -3.537 0.738  C3  A1AGQ 11 
A1AGQ C2  C9  C 0 1 N N N N N N 11.084 -26.371 -6.054  4.986  -3.317 2.115  C2  A1AGQ 12 
A1AGQ C1  C10 C 0 1 N N N N N N 10.047 -25.360 -6.456  5.096  -1.813 2.237  C1  A1AGQ 13 
A1AGQ C6  C11 C 0 1 N N N N N N 8.055  -29.455 -3.253  1.223  -1.355 -0.843 C6  A1AGQ 14 
A1AGQ C7  C12 C 0 1 N N S N N N 7.524  -31.374 -1.871  -1.180 -0.968 -0.946 C7  A1AGQ 15 
A1AGQ C9  C13 C 0 1 N N N N N N 5.061  -32.100 -1.991  -3.032 -1.954 -2.303 C9  A1AGQ 16 
A1AGQ N3  N1  N 0 1 N N N N N N 13.419 -28.312 -1.165  -7.645 -1.758 1.035  N3  A1AGQ 17 
A1AGQ N2  N2  N 0 1 N N N N N N 9.409  -31.652 -0.339  -3.154 0.475  -0.575 N2  A1AGQ 18 
A1AGQ C8  C14 C 0 1 N N N N N N 6.519  -32.525 -1.872  -1.798 -2.271 -1.455 C8  A1AGQ 19 
A1AGQ O1  O4  O 0 1 N N N N N N 10.235 -24.171 -6.712  5.305  -1.214 3.271  O1  A1AGQ 20 
A1AGQ C10 C15 C 0 1 N N N N N N 4.149  -33.312 -2.077  -2.602 -1.216 -3.573 C10 A1AGQ 21 
A1AGQ C11 C16 C 0 1 N N N N N N 4.680  -31.236 -0.803  -3.737 -3.257 -2.684 C11 A1AGQ 22 
A1AGQ C12 C17 C 0 1 N N N N N N 8.928  -31.895 -1.565  -2.162 -0.265 -0.043 C12 A1AGQ 23 
A1AGQ C19 C18 C 0 1 N N R N N N 10.671 -33.125 1.159   -3.203 2.240  1.118  C19 A1AGQ 24 
A1AGQ C20 C19 C 0 1 N N N N N N 7.538  -25.345 -6.688  4.969  0.208  0.796  C20 A1AGQ 25 
A1AGQ C21 C20 C 0 1 N N S N N N 6.686  -26.122 -7.686  6.404  0.636  0.483  C21 A1AGQ 26 
A1AGQ C22 C21 C 0 1 N N N N N N 5.218  -25.639 -7.705  6.852  0.075  -0.889 C22 A1AGQ 27 
A1AGQ C23 C22 C 0 1 N N R N N N 5.012  -25.179 -9.159  7.149  1.356  -1.732 C23 A1AGQ 28 
A1AGQ C24 C23 C 0 1 N N N N N N 5.073  -26.453 -9.955  8.381  1.971  -1.057 C24 A1AGQ 29 
A1AGQ C25 C24 C 0 1 N N N N N N 6.331  -26.840 -10.000 8.018  2.448  0.117  C25 A1AGQ 30 
A1AGQ C26 C25 C 0 1 N N R N N N 7.143  -25.899 -9.162  6.487  2.185  0.298  C26 A1AGQ 31 
A1AGQ C27 C26 C 0 1 N N N N N N 6.389  -24.603 -9.483  6.019  2.313  -1.202 C27 A1AGQ 32 
A1AGQ C5  C27 C 0 1 N N N N N N 8.487  -27.658 -4.714  3.566  -1.804 -0.933 C5  A1AGQ 33 
A1AGQ N1  N3  N 0 1 N N N N N N 7.523  -30.685 -3.146  0.043  -1.267 -0.198 N1  A1AGQ 34 
A1AGQ N4  N4  N 0 1 N N N N N N 8.838  -25.973 -6.445  4.931  -1.237 1.033  N4  A1AGQ 35 
A1AGQ O5  O5  O 0 1 N N N N N N 9.565  -32.508 -2.427  -2.058 -0.367 1.161  O5  A1AGQ 36 
A1AGQ O6  O6  O 0 1 N N N N N N 8.503  -28.809 -2.326  1.288  -1.096 -2.028 O6  A1AGQ 37 
A1AGQ H1  H1  H 0 1 N N N N N N 10.050 -34.965 1.393   -4.546 2.422  2.623  H1  A1AGQ 38 
A1AGQ H2  H2  H 0 1 N N N N N N 10.796 -29.457 -0.920  -5.121 -1.109 -0.360 H2  A1AGQ 39 
A1AGQ H3  H3  H 0 1 N N N N N N 12.519 -31.169 0.931   -5.384 0.888  1.941  H3  A1AGQ 40 
A1AGQ H4  H4  H 0 1 N N N N N N 10.983 -30.344 1.361   -4.058 -0.292 1.802  H4  A1AGQ 41 
A1AGQ H5  H5  H 0 1 N N N N N N 11.280 -32.486 -0.788  -4.758 1.800  -0.307 H5  A1AGQ 42 
A1AGQ H6  H6  H 0 1 N N N N N N 11.856 -30.827 -2.506  -7.092 1.059  0.438  H6  A1AGQ 43 
A1AGQ H7  H7  H 0 1 N N N N N N 13.289 -31.115 -1.461  -6.685 0.445  -1.199 H7  A1AGQ 44 
A1AGQ H8  H8  H 0 1 N N N N N N 14.163 -29.387 -2.833  -8.962 -0.352 0.172  H8  A1AGQ 45 
A1AGQ H9  H9  H 0 1 N N N N N N 12.552 -28.629 -3.073  -8.113 -1.414 -0.990 H9  A1AGQ 46 
A1AGQ H10 H10 H 0 1 N N N N N N 8.325  -28.010 -6.847  5.617  -2.400 -0.587 H10 A1AGQ 47 
A1AGQ H11 H11 H 0 1 N N N N N N 10.778 -28.479 -5.675  3.235  -3.620 0.839  H11 A1AGQ 48 
A1AGQ H12 H12 H 0 1 N N N N N N 10.620 -28.000 -7.399  4.729  -4.415 0.240  H12 A1AGQ 49 
A1AGQ H13 H13 H 0 1 N N N N N N 12.005 -26.245 -6.643  4.361  -3.720 2.912  H13 A1AGQ 50 
A1AGQ H14 H14 H 0 1 N N N N N N 11.320 -26.288 -4.983  5.974  -3.777 2.137  H14 A1AGQ 51 
A1AGQ H15 H15 H 0 1 N N N N N N 7.238  -30.668 -1.077  -0.940 -0.324 -1.792 H15 A1AGQ 52 
A1AGQ H16 H16 H 0 1 N N N N N N 4.943  -31.506 -2.909  -3.714 -1.325 -1.731 H16 A1AGQ 53 
A1AGQ H17 H17 H 0 1 N N N N N N 14.104 -27.585 -1.119  -8.260 -2.355 1.489  H17 A1AGQ 54 
A1AGQ H18 H18 H 0 1 N N N N N N 8.826  -31.175 0.319   -3.285 0.494  -1.536 H18 A1AGQ 55 
A1AGQ H19 H19 H 0 1 N N N N N N 6.637  -33.083 -0.932  -1.068 -2.807 -2.062 H19 A1AGQ 56 
A1AGQ H20 H20 H 0 1 N N N N N N 6.754  -33.184 -2.721  -2.090 -2.891 -0.607 H20 A1AGQ 57 
A1AGQ H21 H21 H 0 1 N N N N N N 3.104  -32.980 -2.162  -1.971 -1.869 -4.176 H21 A1AGQ 58 
A1AGQ H22 H22 H 0 1 N N N N N N 4.417  -33.910 -2.961  -3.485 -0.933 -4.145 H22 A1AGQ 59 
A1AGQ H23 H23 H 0 1 N N N N N N 4.266  -33.924 -1.171  -2.042 -0.321 -3.301 H23 A1AGQ 60 
A1AGQ H24 H24 H 0 1 N N N N N N 5.348  -30.364 -0.754  -4.043 -3.782 -1.780 H24 A1AGQ 61 
A1AGQ H25 H25 H 0 1 N N N N N N 3.640  -30.895 -0.916  -4.616 -3.031 -3.288 H25 A1AGQ 62 
A1AGQ H26 H26 H 0 1 N N N N N N 4.775  -31.823 0.123   -3.055 -3.886 -3.256 H26 A1AGQ 63 
A1AGQ S1  S1  S 0 1 N Y N N N N 10.114 -32.752 1.993   -2.356 3.389  -0.002 S1  A1AGQ 64 
A1AGQ H28 H28 H 0 1 N N N N N N 11.713 -33.363 1.420   -2.465 1.694  1.705  H28 A1AGQ 65 
A1AGQ H29 H29 H 0 1 N N N N N N 7.705  -24.332 -7.082  4.619  0.732  1.686  H29 A1AGQ 66 
A1AGQ H30 H30 H 0 1 N N N N N N 6.994  -25.283 -5.734  4.324  0.455  -0.048 H30 A1AGQ 67 
A1AGQ H31 H31 H 0 1 N N N N N N 6.719  -27.196 -7.451  7.081  0.308  1.271  H31 A1AGQ 68 
A1AGQ H32 H32 H 0 1 N N N N N N 5.069  -24.805 -7.004  7.753  -0.529 -0.780 H32 A1AGQ 69 
A1AGQ H33 H33 H 0 1 N N N N N N 4.531  -26.459 -7.451  6.053  -0.509 -1.344 H33 A1AGQ 70 
A1AGQ H34 H34 H 0 1 N N N N N N 4.151  -24.520 -9.342  7.207  1.220  -2.812 H34 A1AGQ 71 
A1AGQ H35 H35 H 0 1 N N N N N N 4.235  -26.960 -10.409 9.377  2.007  -1.472 H35 A1AGQ 72 
A1AGQ H37 H37 H 0 1 N N N N N N 6.712  -27.690 -10.547 8.666  2.941  0.826  H37 A1AGQ 73 
A1AGQ H39 H39 H 0 1 N N N N N N 8.230  -25.888 -9.332  5.977  2.793  1.046  H39 A1AGQ 74 
A1AGQ H40 H40 H 0 1 N N N N N N 6.671  -23.767 -8.827  6.131  3.326  -1.589 H40 A1AGQ 75 
A1AGQ H41 H41 H 0 1 N N N N N N 6.490  -24.295 -10.534 5.015  1.921  -1.362 H41 A1AGQ 76 
A1AGQ H42 H42 H 0 1 N N N N N N 9.333  -27.466 -4.038  3.794  -0.823 -1.351 H42 A1AGQ 77 
A1AGQ H43 H43 H 0 1 N N N N N N 7.662  -26.971 -4.474  3.453  -2.526 -1.741 H43 A1AGQ 78 
A1AGQ H44 H44 H 0 1 N N N N N N 7.125  -31.127 -3.950  0.004  -1.401 0.762  H44 A1AGQ 79 
A1AGQ O9  O9  O 0 1 N Y N N N N ?      ?       ?       -3.278 3.964  -0.917 O9  A1AGQ 80 
A1AGQ O7  O7  O 0 1 N Y N N N N ?      ?       ?       -1.436 4.199  0.718  O7  A1AGQ 81 
A1AGQ O8  O8  O 0 1 N Y N N N N ?      ?       ?       -1.476 2.497  -0.865 O8  A1AGQ 82 
A1AGQ H27 H27 H 0 1 N N N N N N ?      ?       ?       -0.954 2.978  -1.523 H27 A1AGQ 83 
# 
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 
A1AGQ C25 C24 DOUB N N 1  
A1AGQ C25 C26 SING N N 2  
A1AGQ C24 C23 SING N N 3  
A1AGQ C27 C26 SING N N 4  
A1AGQ C27 C23 SING N N 5  
A1AGQ C26 C21 SING N N 6  
A1AGQ C23 C22 SING N N 7  
A1AGQ C22 C21 SING N N 8  
A1AGQ C21 C20 SING N N 9  
A1AGQ O1  C1  DOUB N N 10 
A1AGQ C20 N4  SING N N 11 
A1AGQ C1  N4  SING N N 12 
A1AGQ C1  C2  SING N N 13 
A1AGQ N4  C4  SING N N 14 
A1AGQ C3  C4  SING N N 15 
A1AGQ C3  C2  SING N N 16 
A1AGQ C4  C5  SING N N 17 
A1AGQ C5  O2  SING N N 18 
A1AGQ O2  C6  SING N N 19 
A1AGQ C6  N1  SING N N 20 
A1AGQ C6  O6  DOUB N N 21 
A1AGQ N1  C7  SING N N 22 
A1AGQ O5  C12 DOUB N N 23 
A1AGQ C17 C18 SING N N 24 
A1AGQ C17 N3  SING N N 25 
A1AGQ C10 C9  SING N N 26 
A1AGQ C9  C8  SING N N 27 
A1AGQ C9  C11 SING N N 28 
A1AGQ C8  C7  SING N N 29 
A1AGQ C7  C12 SING N N 30 
A1AGQ C18 C15 SING N N 31 
A1AGQ C12 N2  SING N N 32 
A1AGQ N3  C16 SING N N 33 
A1AGQ C15 C16 SING N N 34 
A1AGQ C15 C14 SING N N 35 
A1AGQ N2  C13 SING N N 36 
A1AGQ C16 O3  DOUB N N 37 
A1AGQ C13 C14 SING N N 38 
A1AGQ C13 C19 SING N N 39 
A1AGQ O4  C19 SING N N 40 
A1AGQ O4  H1  SING N N 41 
A1AGQ C15 H2  SING N N 42 
A1AGQ C14 H3  SING N N 43 
A1AGQ C14 H4  SING N N 44 
A1AGQ C13 H5  SING N N 45 
A1AGQ C18 H6  SING N N 46 
A1AGQ C18 H7  SING N N 47 
A1AGQ C17 H8  SING N N 48 
A1AGQ C17 H9  SING N N 49 
A1AGQ C4  H10 SING N N 50 
A1AGQ C3  H11 SING N N 51 
A1AGQ C3  H12 SING N N 52 
A1AGQ C2  H13 SING N N 53 
A1AGQ C2  H14 SING N N 54 
A1AGQ C7  H15 SING N N 55 
A1AGQ C9  H16 SING N N 56 
A1AGQ N3  H17 SING N N 57 
A1AGQ N2  H18 SING N N 58 
A1AGQ C8  H19 SING N N 59 
A1AGQ C8  H20 SING N N 60 
A1AGQ C10 H21 SING N N 61 
A1AGQ C10 H22 SING N N 62 
A1AGQ C10 H23 SING N N 63 
A1AGQ C11 H24 SING N N 64 
A1AGQ C11 H25 SING N N 65 
A1AGQ C11 H26 SING N N 66 
A1AGQ C19 S1  SING N N 67 
A1AGQ C19 H28 SING N N 68 
A1AGQ C20 H29 SING N N 69 
A1AGQ C20 H30 SING N N 70 
A1AGQ C21 H31 SING N N 71 
A1AGQ C22 H32 SING N N 72 
A1AGQ C22 H33 SING N N 73 
A1AGQ C23 H34 SING N N 74 
A1AGQ C24 H35 SING N N 75 
A1AGQ C25 H37 SING N N 76 
A1AGQ C26 H39 SING N N 77 
A1AGQ C27 H40 SING N N 78 
A1AGQ C27 H41 SING N N 79 
A1AGQ C5  H42 SING N N 80 
A1AGQ C5  H43 SING N N 81 
A1AGQ N1  H44 SING N N 82 
A1AGQ S1  O9  DOUB N N 83 
A1AGQ S1  O7  DOUB N N 84 
A1AGQ S1  O8  SING N N 85 
A1AGQ O8  H27 SING N N 86 
# 
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 
A1AGQ SMILES           ACDLabs              12.01 "O=C1NCCC1CC(NC(=O)C(CC(C)C)NC(=O)OCC1CCC(=O)N1CC1CC2CC1C=C2)C(O)S(=O)(=O)O"                                                                                                                                                                                        
A1AGQ InChI            InChI                1.06  "InChI=1S/C27H42N4O9S/c1-15(2)9-21(25(34)29-22(26(35)41(37,38)39)12-18-7-8-28-24(18)33)30-27(36)40-14-20-5-6-23(32)31(20)13-19-11-16-3-4-17(19)10-16/h3-4,15-22,26,35H,5-14H2,1-2H3,(H,28,33)(H,29,34)(H,30,36)(H,37,38,39)/t16-,17+,18+,19-,20+,21+,22+,26-/m1/s1" 
A1AGQ InChIKey         InChI                1.06  DZWIJESAJPXJIB-AQOOIRESSA-N                                                                                                                                                                                                                                         
A1AGQ SMILES_CANONICAL CACTVS               3.385 "CC(C)C[C@H](NC(=O)OC[C@@H]1CCC(=O)N1C[C@H]2C[C@H]3C[C@@H]2C=C3)C(=O)N[C@@H](C[C@@H]4CCNC4=O)[C@H](O)[S](O)(=O)=O"                                                                                                                                                  
A1AGQ SMILES           CACTVS               3.385 "CC(C)C[CH](NC(=O)OC[CH]1CCC(=O)N1C[CH]2C[CH]3C[CH]2C=C3)C(=O)N[CH](C[CH]4CCNC4=O)[CH](O)[S](O)(=O)=O"                                                                                                                                                              
A1AGQ SMILES_CANONICAL "OpenEye OEToolkits" 2.0.7 "CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OC[C@@H]2CCC(=O)N2C[C@H]3C[C@H]4C[C@@H]3C=C4"                                                                                                                                                       
A1AGQ SMILES           "OpenEye OEToolkits" 2.0.7 "CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OCC2CCC(=O)N2CC3CC4CC3C=C4"                                                                                                                                                                                        
# 
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 
A1AGQ "SYSTEMATIC NAME" ACDLabs              12.01 "(1R,2S)-2-{[N-({[(2S)-1-{[(1R,2S,4R)-bicyclo[2.2.1]hept-5-en-2-yl]methyl}-5-oxopyrrolidin-2-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid"                                                          
A1AGQ "SYSTEMATIC NAME" "OpenEye OEToolkits" 2.0.7 "(2~{S})-2-[[(2~{S})-2-[[(2~{S})-1-[[(1~{R},2~{S},4~{R})-2-bicyclo[2.2.1]hept-5-enyl]methyl]-5-oxidanylidene-pyrrolidin-2-yl]methoxycarbonylamino]-4-methyl-pentanoyl]amino]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propane-1-sulfonic 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 
A1AGQ "Create component" 2024-02-29 RCSB 
A1AGQ "Initial release"  2024-07-10 RCSB 
A1AGQ "Modify PCM"       2024-09-27 PDBE 
# 
_pdbx_chem_comp_pcm.pcm_id                             1 
_pdbx_chem_comp_pcm.comp_id                            A1AGQ 
_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               C19 
_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      ? 
# 
