data_KQ6
# 
_chem_comp.id                                    KQ6 
_chem_comp.name                                  "Bilin 584 (doubly linked)" 
_chem_comp.type                                  non-polymer 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C33 H40 N4 O6" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         "(2E)-3-(2-{(Z)-[3-(2-carboxyethyl)-5-{(Z)-[(3R,4R)-3-ethyl-4-methyl-5-oxopyrrolidin-2-ylidene]methyl}-4-methyl-2H-pyrrol-2-ylidene]methyl}-5-{[(2R)-4-ethyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]methyl}-4-methyl-1H-pyrrol-3-yl)prop-2-enoic acid" 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2022-02-09 
_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                        588.694 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     ? 
_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        7T8S 
_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_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 
KQ6 NB   N1  N 0 1 N N N N N N -8.587  18.634 26.803 -0.731 1.529  0.411  NB   KQ6 1  
KQ6 ND   N2  N 0 1 N N N N N N -6.820  13.012 30.311 2.525  -1.595 -1.322 ND   KQ6 2  
KQ6 OD   O1  O 0 1 N N N N N N -6.112  11.136 31.687 4.144  -0.270 -2.211 OD   KQ6 3  
KQ6 C1A  C1  C 0 1 N N N N N N -6.152  24.024 27.001 3.185  1.467  1.230  C1A  KQ6 4  
KQ6 C1B  C2  C 0 1 N N N N N N -8.391  20.018 26.335 -0.701 2.854  0.390  C1B  KQ6 5  
KQ6 C1C  C3  C 0 1 Y N N N N N -9.833  15.950 27.860 -1.493 -1.257 0.390  C1C  KQ6 6  
KQ6 C1D  C4  C 0 1 N N R N N N -6.209  13.771 29.189 2.557  -2.837 -0.538 C1D  KQ6 7  
KQ6 C2A  C5  C 0 1 N N R N N N -4.841  23.717 26.089 4.039  2.706  1.084  C2A  KQ6 8  
KQ6 C2B  C6  C 0 1 N N N N N N -9.657  20.768 26.443 -2.024 3.336  0.244  C2B  KQ6 9  
KQ6 C2C  C7  C 0 1 Y N N N N N -10.513 14.736 28.246 -1.767 -2.638 0.361  C2C  KQ6 10 
KQ6 C2D  C8  C 0 1 N N N N N N -4.738  13.187 29.107 4.018  -3.179 -0.366 C2D  KQ6 11 
KQ6 C3A  C9  C 0 1 N N R N N N -5.231  22.448 25.231 3.030  3.823  0.755  C3A  KQ6 12 
KQ6 C3B  C10 C 0 1 N N N N N N -10.636 19.849 26.998 -2.838 2.251  0.180  C3B  KQ6 13 
KQ6 C3C  C11 C 0 1 Y N N N N N -9.564  13.657 28.299 -0.528 -3.295 0.521  C3C  KQ6 14 
KQ6 C3D  C12 C 0 1 N N N N N N -4.649  12.036 29.902 4.715  -2.231 -0.986 C3D  KQ6 15 
KQ6 C4A  C13 C 0 1 N N N N N N -6.497  21.825 26.037 1.694  3.112  0.744  C4A  KQ6 16 
KQ6 C4B  C14 C 0 1 N N N N N N -9.966  18.543 27.200 -2.004 1.108  0.287  C4B  KQ6 17 
KQ6 C4C  C15 C 0 1 Y N N N N N -8.273  14.236 27.941 0.430  -2.348 0.639  C4C  KQ6 18 
KQ6 C4D  C16 C 0 1 N N N N N N -5.886  11.961 30.750 3.801  -1.250 -1.578 C4D  KQ6 19 
KQ6 CAA  C17 C 0 1 N N N N N N -4.138  21.318 25.042 3.325  4.433  -0.617 CAA  KQ6 20 
KQ6 CAB  C18 C 0 1 N N N N N N -12.163 20.175 27.279 -4.337 2.259  0.025  CAB  KQ6 21 
KQ6 CAC  C19 C 0 1 N N N N N N -12.076 14.675 28.547 -3.080 -3.270 0.196  CAC  KQ6 22 
KQ6 CAD  C20 C 0 1 N N N N N N -3.365  11.073 30.016 6.219  -2.175 -1.068 CAD  KQ6 23 
KQ6 CBA  C21 C 0 1 N N N N N N -3.840  20.610 26.458 4.617  5.249  -0.546 CBA  KQ6 24 
KQ6 CBB  C22 C 0 1 N N N N N N -12.432 20.837 28.714 -4.698 2.110  -1.455 CBB  KQ6 25 
KQ6 CBC  C23 C 0 1 N N N N N N -12.938 13.679 28.001 -4.120 -2.878 0.967  CBC  KQ6 26 
KQ6 CBD  C24 C 0 1 N N N N N N -2.764  11.217 31.481 6.683  -2.816 -2.377 CBD  KQ6 27 
KQ6 CGB  C25 C 0 1 N N N N N N -12.301 19.684 29.846 -6.197 2.118  -1.610 CGB  KQ6 28 
KQ6 CGC  C26 C 0 1 N N N N N N -14.429 13.825 28.449 -5.430 -3.507 0.802  CGC  KQ6 29 
KQ6 CHA  C27 C 0 1 N N N N N N -6.989  20.506 25.775 0.505  3.685  0.500  CHA  KQ6 30 
KQ6 CHB  C28 C 0 1 N N N N N N -10.626 17.369 27.730 -2.429 -0.221 0.268  CHB  KQ6 31 
KQ6 CHC  C29 C 0 1 N N N N N N -6.911  13.450 27.874 1.901  -2.617 0.826  CHC  KQ6 32 
KQ6 CMA  C30 C 0 1 N N N N N N -4.401  24.936 25.190 4.770  3.010  2.393  CMA  KQ6 33 
KQ6 CMB  C31 C 0 1 N N N N N N -9.985  22.309 26.049 -2.449 4.780  0.173  CMB  KQ6 34 
KQ6 CMC  C32 C 0 1 N N N N N N -9.888  12.131 28.668 -0.312 -4.786 0.555  CMC  KQ6 35 
KQ6 CMD  C33 C 0 1 N N N N N N -3.621  13.781 28.129 4.580  -4.369 0.368  CMD  KQ6 36 
KQ6 NA   N3  N 0 1 N N N N N N -7.082  22.865 26.959 1.901  1.781  1.021  NA   KQ6 37 
KQ6 NC   N4  N 0 1 Y N N N N N -8.431  15.653 27.685 -0.138 -1.117 0.568  NC   KQ6 38 
KQ6 O1B  O2  O 0 1 N N N N N N -11.724 19.985 31.021 -6.747 1.999  -2.828 O1B  KQ6 39 
KQ6 O1C  O3  O 0 1 N N N N N N -14.861 15.026 28.776 -6.468 -3.116 1.571  O1C  KQ6 40 
KQ6 O2B  O4  O 0 1 N N N N N N -12.716 18.456 29.574 -6.904 2.231  -0.637 O2B  KQ6 41 
KQ6 O2C  O5  O 0 1 N N N N N N -15.214 12.778 28.520 -5.584 -4.384 -0.027 O2C  KQ6 42 
KQ6 OA   O6  O 0 1 N N N N N N -6.360  25.080 27.687 3.601  0.358  1.491  OA   KQ6 43 
KQ6 HND  H2  H 0 1 N N N N N N -7.722  13.187 30.705 1.732  -1.114 -1.605 HND  KQ6 44 
KQ6 H1D1 H3  H 0 0 N N N N N N -6.188  14.854 29.383 2.045  -3.634 -1.077 H1D1 KQ6 45 
KQ6 H2A1 H4  H 0 0 N N N N N N -4.010  23.451 26.759 4.753  2.584  0.269  H2A1 KQ6 46 
KQ6 H3A1 H5  H 0 0 N N N N N N -5.578  22.779 24.241 3.048  4.591  1.528  H3A1 KQ6 47 
KQ6 HAA2 H6  H 0 0 N Y N N N N -4.508  20.567 24.328 3.439  3.636  -1.352 HAA2 KQ6 48 
KQ6 HAA1 H7  H 0 0 N N N N N N -3.211  21.767 24.655 2.500  5.082  -0.911 HAA1 KQ6 49 
KQ6 HAB1 H8  H 0 0 N N N N N N -12.517 20.871 26.504 -4.765 1.430  0.589  HAB1 KQ6 50 
KQ6 HAB2 H9  H 0 0 N N N N N N -12.734 19.237 27.218 -4.737 3.200  0.403  HAB2 KQ6 51 
KQ6 HAC1 H10 H 0 0 N N N N N N -12.504 15.425 29.196 -3.217 -4.048 -0.540 HAC1 KQ6 52 
KQ6 HAD1 H11 H 0 0 N N N N N N -3.665  10.030 29.838 6.545  -1.135 -1.036 HAD1 KQ6 53 
KQ6 HAD2 H12 H 0 0 N Y N N N N -2.610  11.370 29.273 6.649  -2.716 -0.225 HAD2 KQ6 54 
KQ6 HBA1 H13 H 0 0 N N N N N N -3.081  19.826 26.324 5.456  4.585  -0.340 HBA1 KQ6 55 
KQ6 HBA3 H14 H 0 0 N N N N N N -3.470  21.360 27.172 4.779  5.757  -1.497 HBA3 KQ6 56 
KQ6 HBA2 H15 H 0 0 N N N N N N -4.766  20.161 26.845 4.536  5.989  0.251  HBA2 KQ6 57 
KQ6 HBB2 H16 H 0 0 N N N N N N -11.691 21.628 28.902 -4.270 2.939  -2.018 HBB2 KQ6 58 
KQ6 HBB1 H17 H 0 0 N N N N N N -13.443 21.269 28.740 -4.299 1.169  -1.833 HBB1 KQ6 59 
KQ6 HBC1 H18 H 0 0 N N N N N N -12.594 12.897 27.340 -3.984 -2.099 1.703  HBC1 KQ6 60 
KQ6 HBD1 H19 H 0 0 N N N N N N -1.883  10.566 31.582 6.253  -2.274 -3.219 HBD1 KQ6 61 
KQ6 HBD2 H20 H 0 0 N N N N N N -2.469  12.262 31.655 7.771  -2.775 -2.436 HBD2 KQ6 62 
KQ6 HBD3 H21 H 0 0 N N N N N N -3.524  10.923 32.220 6.356  -3.855 -2.408 HBD3 KQ6 63 
KQ6 HHA1 H22 H 0 0 N N N N N N -6.392  19.828 25.183 0.436  4.756  0.384  HHA1 KQ6 64 
KQ6 HHB1 H23 H 0 0 N N N N N N -11.657 17.434 28.044 -3.478 -0.451 0.158  HHB1 KQ6 65 
KQ6 HHC2 H25 H 0 0 N N N N N N -7.092  12.369 27.786 2.031  -3.508 1.440  HHC2 KQ6 66 
KQ6 HHC1 H26 H 0 0 N N N N N N -6.308  13.792 27.020 2.366  -1.764 1.320  HHC1 KQ6 67 
KQ6 HMA2 H27 H 0 0 N N N N N N -4.141  25.791 25.832 5.430  2.179  2.643  HMA2 KQ6 68 
KQ6 HMA1 H28 H 0 0 N N N N N N -3.526  24.650 24.588 5.359  3.920  2.278  HMA1 KQ6 69 
KQ6 HMA3 H29 H 0 0 N N N N N N -5.229  25.217 24.523 4.042  3.148  3.193  HMA3 KQ6 70 
KQ6 HMB3 H30 H 0 0 N N N N N N -11.041 22.527 26.267 -1.571 5.422  0.251  HMB3 KQ6 71 
KQ6 HMB1 H31 H 0 0 N N N N N N -9.343  22.982 26.636 -2.950 4.965  -0.777 HMB1 KQ6 72 
KQ6 HMB2 H32 H 0 0 N N N N N N -9.793  22.462 24.977 -3.133 4.999  0.993  HMB2 KQ6 73 
KQ6 HMC2 H33 H 0 0 N N N N N N -9.781  11.985 29.753 -0.130 -5.150 -0.457 HMC2 KQ6 74 
KQ6 HMC1 H34 H 0 0 N N N N N N -10.918 11.892 28.366 0.549  -5.014 1.183  HMC1 KQ6 75 
KQ6 HMC3 H35 H 0 0 N N N N N N -9.187  11.469 28.138 -1.198 -5.273 0.962  HMC3 KQ6 76 
KQ6 HMD1 H36 H 0 0 N N N N N N -2.687  13.213 28.251 4.689  -5.204 -0.323 HMD1 KQ6 77 
KQ6 HMD2 H37 H 0 0 N N N N N N -3.966  13.701 27.087 5.554  -4.112 0.785  HMD2 KQ6 78 
KQ6 HMD3 H38 H 0 0 N N N N N N -3.442  14.838 28.376 3.903  -4.650 1.175  HMD3 KQ6 79 
KQ6 HNA  H39 H 0 1 N N N N N N -7.946  22.788 27.456 1.182  1.131  1.066  HNA  KQ6 80 
KQ6 HNC  H40 H 0 1 N N N N N N -7.710  16.299 27.436 0.337  -0.273 0.626  HNC  KQ6 81 
KQ6 HO1B H41 H 0 0 N N N N N N -11.681 19.205 31.562 -7.712 2.010  -2.878 HO1B KQ6 82 
KQ6 HO1C H42 H 0 0 N N N N N N -15.770 14.973 29.046 -7.291 -3.589 1.390  HO1C KQ6 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 
KQ6 CAA C3A  SING N N 1  
KQ6 CAA CBA  SING N N 2  
KQ6 CMA C2A  SING N N 3  
KQ6 C3A C4A  SING N N 4  
KQ6 C3A C2A  SING N N 5  
KQ6 CHA C4A  DOUB N Z 6  
KQ6 CHA C1B  SING N N 7  
KQ6 C4A NA   SING N N 8  
KQ6 CMB C2B  SING N N 9  
KQ6 C2A C1A  SING N N 10 
KQ6 C1B C2B  SING N N 11 
KQ6 C1B NB   DOUB N N 12 
KQ6 C2B C3B  DOUB N N 13 
KQ6 NB  C4B  SING N N 14 
KQ6 NA  C1A  SING N N 15 
KQ6 C3B C4B  SING N N 16 
KQ6 C3B CAB  SING N N 17 
KQ6 C1A OA   DOUB N N 18 
KQ6 C4B CHB  DOUB N Z 19 
KQ6 CAB CBB  SING N N 20 
KQ6 NC  C1C  SING Y N 21 
KQ6 NC  C4C  SING Y N 22 
KQ6 CHB C1C  SING N N 23 
KQ6 C1C C2C  DOUB Y N 24 
KQ6 CHC C4C  SING N N 25 
KQ6 CHC C1D  SING N N 26 
KQ6 C4C C3C  DOUB Y N 27 
KQ6 CBC CGC  SING N N 28 
KQ6 CBC CAC  DOUB N E 29 
KQ6 CMD C2D  SING N N 30 
KQ6 C2C C3C  SING Y N 31 
KQ6 C2C CAC  SING N N 32 
KQ6 C3C CMC  SING N N 33 
KQ6 CGC O2C  DOUB N N 34 
KQ6 CGC O1C  SING N N 35 
KQ6 CBB CGB  SING N N 36 
KQ6 C2D C1D  SING N N 37 
KQ6 C2D C3D  DOUB N N 38 
KQ6 C1D ND   SING N N 39 
KQ6 O2B CGB  DOUB N N 40 
KQ6 CGB O1B  SING N N 41 
KQ6 C3D CAD  SING N N 42 
KQ6 C3D C4D  SING N N 43 
KQ6 CAD CBD  SING N N 44 
KQ6 ND  C4D  SING N N 45 
KQ6 C4D OD   DOUB N N 46 
KQ6 ND  HND  SING N N 47 
KQ6 C1D H1D1 SING N N 48 
KQ6 C2A H2A1 SING N N 49 
KQ6 C3A H3A1 SING N N 50 
KQ6 CAA HAA2 SING N N 51 
KQ6 CAA HAA1 SING N N 52 
KQ6 CAB HAB1 SING N N 53 
KQ6 CAB HAB2 SING N N 54 
KQ6 CAC HAC1 SING N N 55 
KQ6 CAD HAD1 SING N N 56 
KQ6 CAD HAD2 SING N N 57 
KQ6 CBA HBA1 SING N N 58 
KQ6 CBA HBA3 SING N N 59 
KQ6 CBA HBA2 SING N N 60 
KQ6 CBB HBB2 SING N N 61 
KQ6 CBB HBB1 SING N N 62 
KQ6 CBC HBC1 SING N N 63 
KQ6 CBD HBD1 SING N N 64 
KQ6 CBD HBD2 SING N N 65 
KQ6 CBD HBD3 SING N N 66 
KQ6 CHA HHA1 SING N N 67 
KQ6 CHB HHB1 SING N N 68 
KQ6 CHC HHC2 SING N N 69 
KQ6 CHC HHC1 SING N N 70 
KQ6 CMA HMA2 SING N N 71 
KQ6 CMA HMA1 SING N N 72 
KQ6 CMA HMA3 SING N N 73 
KQ6 CMB HMB3 SING N N 74 
KQ6 CMB HMB1 SING N N 75 
KQ6 CMB HMB2 SING N N 76 
KQ6 CMC HMC2 SING N N 77 
KQ6 CMC HMC1 SING N N 78 
KQ6 CMC HMC3 SING N N 79 
KQ6 CMD HMD1 SING N N 80 
KQ6 CMD HMD2 SING N N 81 
KQ6 CMD HMD3 SING N N 82 
KQ6 NA  HNA  SING N N 83 
KQ6 NC  HNC  SING N N 84 
KQ6 O1B HO1B SING N N 85 
KQ6 O1C HO1C 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 
KQ6 SMILES           ACDLabs              12.01 "O=C(O)CCC1=C(C)C(/C=C2\NC(=O)C(C)C2CC)=N/C1=C\c1[NH]c(CC2NC(=O)C(CC)=C2C)c(C)c1/C=C/C(=O)O"                                                                                                                                                                                          
KQ6 InChI            InChI                1.06  "InChI=1S/C33H40N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h9,11,14-15,19-20,26,34H,7-8,10,12-13H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b11-9+,27-14-,29-15-/t19-,20-,26-/m1/s1" 
KQ6 InChIKey         InChI                1.06  KXOMFZIVZHIPRO-GUEBWASOSA-N                                                                                                                                                                                                                                                           
KQ6 SMILES_CANONICAL CACTVS               3.385 "CC[C@@H]/1[C@@H](C)C(=O)NC/1=C/C2=N\C(=C/c3[nH]c(C[C@H]4NC(=O)C(=C4C)CC)c(C)c3/C=C/C(O)=O)C(=C2C)CCC(O)=O"                                                                                                                                                                           
KQ6 SMILES           CACTVS               3.385 "CC[CH]1[CH](C)C(=O)NC1=CC2=NC(=Cc3[nH]c(C[CH]4NC(=O)C(=C4C)CC)c(C)c3C=CC(O)=O)C(=C2C)CCC(O)=O"                                                                                                                                                                                       
KQ6 SMILES_CANONICAL "OpenEye OEToolkits" 2.0.7 "CC[C@@H]\1[C@H](C(=O)N/C1=C\C2=N/C(=C\c3c(c(c([nH]3)C[C@@H]4C(=C(C(=O)N4)CC)C)C)/C=C/C(=O)O)/C(=C2C)CCC(=O)O)C"                                                                                                                                                                      
KQ6 SMILES           "OpenEye OEToolkits" 2.0.7 "CCC1C(C(=O)NC1=CC2=NC(=Cc3c(c(c([nH]3)CC4C(=C(C(=O)N4)CC)C)C)C=CC(=O)O)C(=C2C)CCC(=O)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 
KQ6 "SYSTEMATIC NAME" ACDLabs              12.01 "(2E)-3-(2-{(Z)-[3-(2-carboxyethyl)-5-{(Z)-[(3R,4R)-3-ethyl-4-methyl-5-oxopyrrolidin-2-ylidene]methyl}-4-methyl-2H-pyrrol-2-ylidene]methyl}-5-{[(2R)-4-ethyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]methyl}-4-methyl-1H-pyrrol-3-yl)prop-2-enoic acid"                                                         
KQ6 "SYSTEMATIC NAME" "OpenEye OEToolkits" 2.0.7 "3-[(2~{Z})-2-[[5-[[(2~{R})-4-ethyl-3-methyl-5-oxidanylidene-1,2-dihydropyrrol-2-yl]methyl]-4-methyl-3-[(~{E})-3-oxidanyl-3-oxidanylidene-prop-1-enyl]-1~{H}-pyrrol-2-yl]methylidene]-5-[(~{Z})-[(3~{R},4~{R})-3-ethyl-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-4-methyl-pyrrol-3-yl]propanoic 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 
KQ6 "Create component"   2022-02-09 RCSB 
KQ6 "Modify synonyms"    2022-09-16 RCSB 
KQ6 "Other modification" 2022-09-20 RCSB 
KQ6 "Initial release"    2023-02-15 RCSB 
KQ6 "Modify PCM"         2024-09-27 PDBE 
# 
_pdbx_chem_comp_synonyms.ordinal      1 
_pdbx_chem_comp_synonyms.comp_id      KQ6 
_pdbx_chem_comp_synonyms.name         "(2E)-3-(2-{(Z)-[3-(2-carboxyethyl)-5-{(Z)-[(3R,4R)-3-ethyl-4-methyl-5-oxopyrrolidin-2-ylidene]methyl}-4-methyl-2H-pyrrol-2-ylidene]methyl}-5-{[(2R)-4-ethyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]methyl}-4-methyl-1H-pyrrol-3-yl)prop-2-enoic acid" 
_pdbx_chem_comp_synonyms.provenance   PDB 
_pdbx_chem_comp_synonyms.type         ? 
# 
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 KQ6 CYS None Crosslinker "Amino-acid side chain" "Any position" CAA SG ? ? 
2 KQ6 CYS None Crosslinker "Amino-acid side chain" "Any position" CAD SG ? ? 
# 
