data_FAA
# 
_chem_comp.id                                    FAA 
_chem_comp.name                                  "N5-(4-HYDROXYBENZYL)FLAVIN-ADENINE DINUCLEOTIDE" 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C34 H39 N9 O16 P2" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     1999-07-08 
_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                        891.672 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     FAA 
_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        1AHU 
_chem_comp.pdbx_subcomponent_list                ? 
_chem_comp.pdbx_processing_site                  EBI 
_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 
FAA PA     AP   P 0  1 N N R N N N 96.325  47.567 75.986 -5.054  -3.381 -0.367 PA     FAA 1   
FAA O1A    AO1  O 0  1 N N N N N N 96.806  48.622 76.923 -5.444  -4.731 0.100  O1A    FAA 2   
FAA O2A    AO2  O 0  1 N N N N N N 95.219  46.663 76.410 -5.349  -3.253 -1.944 O2A    FAA 3   
FAA O5B    AO5* O 0  1 N N N N N N 95.931  48.281 74.599 -5.906  -2.272 0.431  O5B    FAA 4   
FAA C5B    AC5* C 0  1 N N N N N N 95.776  47.732 73.319 -7.334  -2.270 0.476  C5B    FAA 5   
FAA C4B    AC4* C 0  1 N N R N N N 95.326  48.830 72.378 -7.817  -1.085 1.314  C4B    FAA 6   
FAA O4B    AO4* O 0  1 N N N N N N 94.713  48.157 71.249 -7.490  0.148  0.652  O4B    FAA 7   
FAA C3B    AC3* C 0  1 N N S N N N 94.244  49.729 72.975 -9.351  -1.136 1.458  C3B    FAA 8   
FAA O3B    AO3* O 0  1 N N N N N N 94.715  51.032 73.026 -9.721  -1.232 2.835  O3B    FAA 9   
FAA C2B    AC2* C 0  1 N N R N N N 93.107  49.689 71.950 -9.832  0.208  0.860  C2B    FAA 10  
FAA O2B    AO2* O 0  1 N N N N N N 93.162  50.736 71.000 -10.885 0.769  1.648  O2B    FAA 11  
FAA C1B    AC1* C 0  1 N N R N N N 93.315  48.355 71.261 -8.553  1.079  0.947  C1B    FAA 12  
FAA N9A    AN9  N 0  1 Y N N N N N 92.633  47.296 72.003 -8.591  2.152  -0.050 N9A    FAA 13  
FAA C8A    AC8  C 0  1 Y N N N N N 93.079  46.633 73.112 -8.106  2.089  -1.322 C8A    FAA 14  
FAA N7A    AN7  N 0  1 Y N N N N N 92.222  45.754 73.574 -8.306  3.221  -1.931 N7A    FAA 15  
FAA C5A    AC5  C 0  1 Y N N N N N 91.132  45.857 72.720 -8.930  4.081  -1.091 C5A    FAA 16  
FAA C6A    AC6  C 0  1 Y N N N N N 89.883  45.191 72.663 -9.387  5.406  -1.193 C6A    FAA 17  
FAA N6A    AN6  N 0  1 N N N N N N 89.501  44.241 73.526 -9.227  6.121  -2.367 N6A    FAA 18  
FAA N1A    AN1  N 0  1 Y N N N N N 89.031  45.537 71.676 -9.975  5.956  -0.136 N1A    FAA 19  
FAA C2A    AC2  C 0  1 Y N N N N N 89.403  46.486 70.812 -10.131 5.281  0.988  C2A    FAA 20  
FAA N3A    AN3  N 0  1 Y N N N N N 90.540  47.177 70.764 -9.720  4.039  1.129  N3A    FAA 21  
FAA C4A    AC4  C 0  1 Y N N N N N 91.369  46.813 71.751 -9.126  3.404  0.124  C4A    FAA 22  
FAA N1     N1   N 0  1 N N N N N N 105.667 45.881 71.731 5.909   -0.404 -2.882 N1     FAA 23  
FAA C2     C2   C 0  1 N N N N N N 105.875 44.901 70.858 6.181   0.457  -3.860 C2     FAA 24  
FAA O2     O2   O 0  1 N N N N N N 105.041 44.656 69.988 5.605   0.314  -4.924 O2     FAA 25  
FAA N3     N3   N 0  1 N N N N N N 107.027 44.121 70.888 7.050   1.472  -3.747 N3     FAA 26  
FAA C4     C4   C 0  1 N N N N N N 107.989 44.277 71.878 7.726   1.694  -2.596 C4     FAA 27  
FAA O4     O4   O 0  1 N N N N N N 109.020 43.605 71.849 8.514   2.613  -2.491 O4     FAA 28  
FAA C4X    C4A  C 0  1 N N N N N N 107.788 45.383 72.786 7.465   0.768  -1.471 C4X    FAA 29  
FAA N5     N5   N 1  1 N N N N N N 108.780 45.736 73.642 8.065   0.890  -0.315 N5     FAA 30  
FAA C5X    C5A  C 0  1 Y N N N N N 108.547 46.750 74.512 7.806   0.035  0.683  C5X    FAA 31  
FAA C6     C6   C 0  1 Y N N N N N 109.473 46.924 75.546 8.462   0.183  1.921  C6     FAA 32  
FAA C7     C7   C 0  1 Y N N N N N 109.195 47.784 76.608 8.201   -0.685 2.937  C7     FAA 33  
FAA C7M    C7M  C 0  1 N N N N N N 110.192 47.950 77.729 8.906   -0.519 4.259  C7M    FAA 34  
FAA C8     C8   C 0  1 Y N N N N N 107.966 48.502 76.620 7.290   -1.722 2.770  C8     FAA 35  
FAA C8M    C8M  C 0  1 N N N N N N 107.632 49.420 77.770 7.018   -2.669 3.910  C8M    FAA 36  
FAA C9     C9   C 0  1 Y N N N N N 107.050 48.335 75.578 6.633   -1.893 1.571  C9     FAA 37  
FAA C9A    C9A  C 0  1 Y N N N N N 107.328 47.481 74.510 6.881   -1.020 0.515  C9A    FAA 38  
FAA N10    N10  N 0  1 N N N N N N 106.372 47.167 73.578 6.226   -1.187 -0.688 N10    FAA 39  
FAA C10    C10  C 0  1 N N N N N N 106.570 46.128 72.707 6.493   -0.314 -1.699 C10    FAA 40  
FAA "C1'"  C1*  C 0  1 N N N N N N 105.103 47.920 73.533 5.266   -2.277 -0.873 "C1'"  FAA 41  
FAA "C2'"  C2*  C 0  1 N N S N N N 104.097 47.322 74.506 3.868   -1.798 -0.478 "C2'"  FAA 42  
FAA "O2'"  O2*  O 0  1 N N N N N N 104.810 46.582 75.489 3.872   -1.395 0.893  "O2'"  FAA 43  
FAA "C3'"  C3*  C 0  1 N N S N N N 103.163 46.365 73.778 2.864   -2.937 -0.671 "C3'"  FAA 44  
FAA "O3'"  O3*  O 0  1 N N N N N N 102.622 46.993 72.623 2.860   -3.339 -2.042 "O3'"  FAA 45  
FAA "C4'"  C4*  C 0  1 N N R N N N 102.044 45.860 74.688 1.466   -2.457 -0.276 "C4'"  FAA 46  
FAA "O4'"  O4*  O 0  1 N N N N N N 101.662 44.548 74.269 1.471   -2.055 1.095  "O4'"  FAA 47  
FAA "C5'"  C5*  C 0  1 N N N N N N 100.828 46.792 74.724 0.463   -3.596 -0.470 "C5'"  FAA 48  
FAA "O5'"  O5*  O 0  1 N N N N N N 100.046 46.592 75.899 -0.858  -3.116 -0.212 "O5'"  FAA 49  
FAA P      P    P 0  1 N N N N N N 98.695  45.786 76.275 -2.167  -4.048 -0.321 P      FAA 50  
FAA O1P    O1P  O 0  1 N N N N N N 98.743  44.429 75.667 -2.221  -4.697 -1.722 O1P    FAA 51  
FAA O2P    O2P  O -1 1 N N N N N N 98.447  45.916 77.740 -2.103  -5.153 0.756  O2P    FAA 52  
FAA O3P    O3P  O 0  1 N N N N N N 97.580  46.661 75.474 -3.484  -3.151 -0.094 O3P    FAA 53  
FAA C7P    C7P  C 0  1 N N N N N N 109.855 46.256 72.828 9.029   1.974  -0.109 C7P    FAA 54  
FAA C1P    C1P  C 0  1 Y N N N N N 109.228 46.787 71.563 8.343   3.137  0.559  C1P    FAA 55  
FAA C2P    C2P  C 0  1 Y N N N N N 109.386 46.106 70.359 8.422   3.291  1.931  C2P    FAA 56  
FAA C3P    C3P  C 0  1 Y N N N N N 108.794 46.587 69.205 7.794   4.356  2.545  C3P    FAA 57  
FAA C4P    C4P  C 0  1 Y N N N N N 108.056 47.761 69.252 7.082   5.273  1.785  C4P    FAA 58  
FAA O4P    O4P  O 0  1 N N N N N N 107.481 48.239 68.127 6.463   6.322  2.387  O4P    FAA 59  
FAA C5P    C5P  C 0  1 Y N N N N N 107.898 48.443 70.457 7.004   5.116  0.408  C5P    FAA 60  
FAA C6P    C6P  C 0  1 Y N N N N N 108.489 47.959 71.614 7.639   4.052  -0.202 C6P    FAA 61  
FAA HOA2   2HOA H 0  0 N N N N N N 94.912  45.990 75.812 -5.118  -2.391 -2.319 HOA2   FAA 62  
FAA H51A   AH51 H 0  0 N N N N N N 96.695  47.211 72.961 -7.729  -2.184 -0.537 H51A   FAA 63  
FAA H52A   AH52 H 0  0 N N N N N N 95.090  46.852 73.310 -7.684  -3.200 0.924  H52A   FAA 64  
FAA H4B    AH4* H 0  1 N N N N N N 96.208  49.465 72.130 -7.349  -1.113 2.298  H4B    FAA 65  
FAA H3B    AH3* H 0  1 N N N N N N 93.939  49.404 73.997 -9.759  -1.975 0.895  H3B    FAA 66  
FAA HO3A   AHO3 H 0  0 N N N N N N 94.042  51.590 73.397 -10.676 -1.267 2.984  HO3A   FAA 67  
FAA H2B    AH2* H 0  1 N N N N N N 92.114  49.812 72.443 -10.148 0.083  -0.175 H2B    FAA 68  
FAA HO2A   AHO2 H 0  0 N N N N N N 92.456  50.711 70.364 -11.676 0.215  1.697  HO2A   FAA 69  
FAA H1B    AH1* H 0  1 N N N N N N 92.896  48.338 70.227 -8.436  1.490  1.950  H1B    FAA 70  
FAA H8A    AH8  H 0  1 N N N N N N 94.056  46.795 73.597 -7.626  1.226  -1.760 H8A    FAA 71  
FAA H61A   AH61 H 0  0 N N N N N N 88.601  43.761 73.485 -8.797  5.709  -3.132 H61A   FAA 72  
FAA H62A   AH62 H 0  0 N N N N N N 89.587  44.635 74.462 -9.547  7.036  -2.425 H62A   FAA 73  
FAA H2A    AH2  H 0  1 N N N N N N 88.667  46.733 70.027 -10.615 5.767  1.823  H2A    FAA 74  
FAA HN3    HN3  H 0  1 N N N N N N 107.170 43.416 70.164 7.196   2.059  -4.505 HN3    FAA 75  
FAA H6     H6   H 0  1 N N N N N N 110.431 46.378 75.523 9.172   0.985  2.064  H6     FAA 76  
FAA HM71   1HM7 H 0  0 N N N N N N 109.969 48.637 78.578 8.318   0.133  4.905  HM71   FAA 77  
FAA HM72   2HM7 H 0  0 N N N N N N 110.425 46.942 78.144 9.021   -1.493 4.734  HM72   FAA 78  
FAA HM73   3HM7 H 0  0 N N N N N N 111.173 48.242 77.287 9.888   -0.077 4.093  HM73   FAA 79  
FAA HM81   1HM8 H 0  0 N N N N N N 106.669 49.982 77.779 6.195   -2.285 4.513  HM81   FAA 80  
FAA HM82   2HM8 H 0  0 N N N N N N 107.706 48.836 78.717 6.752   -3.649 3.514  HM82   FAA 81  
FAA HM83   3HM8 H 0  0 N N N N N N 108.466 50.150 77.889 7.911   -2.758 4.529  HM83   FAA 82  
FAA H9     H9   H 0  1 N N N N N N 106.094 48.885 75.598 5.928   -2.702 1.450  H9     FAA 83  
FAA "H1'1" 1H1* H 0  0 N N N N N N 105.259 49.008 73.714 5.262   -2.585 -1.919 "H1'1" FAA 84  
FAA "H1'2" 2H1* H 0  0 N N N N N N 104.693 47.982 72.497 5.550   -3.123 -0.247 "H1'2" FAA 85  
FAA "H2'"  H2*  H 0  1 N N N N N N 103.501 48.142 74.968 3.583   -0.952 -1.104 "H2'"  FAA 86  
FAA "HO2'" *HO2 H 0  0 N N N N N N 104.182 46.208 76.096 4.117   -2.099 1.509  "HO2'" FAA 87  
FAA "H3'"  H3*  H 0  1 N N N N N N 103.761 45.478 73.464 3.149   -3.782 -0.045 "H3'"  FAA 88  
FAA "HO3'" *HO3 H 0  0 N N N N N N 102.039 46.395 72.168 2.615   -2.635 -2.658 "HO3'" FAA 89  
FAA "H4'"  H4*  H 0  1 N N N N N N 102.439 45.835 75.730 1.181   -1.612 -0.902 "H4'"  FAA 90  
FAA "HO4'" *HO4 H 0  0 N N N N N N 100.966 44.234 74.834 1.716   -2.759 1.711  "HO4'" FAA 91  
FAA "H5'1" 1H5* H 0  0 N N N N N N 101.130 47.859 74.613 0.523   -3.963 -1.494 "H5'1" FAA 92  
FAA "H5'2" 2H5* H 0  0 N N N N N N 100.209 46.689 73.801 0.696   -4.407 0.221  "H5'2" FAA 93  
FAA H7P1   1H7P H 0  0 N N N N N N 110.481 47.010 73.358 9.843   1.620  0.524  H7P1   FAA 94  
FAA H7P2   2H7P H 0  0 N N N N N N 110.662 45.510 72.638 9.429   2.291  -1.072 H7P2   FAA 95  
FAA H2P    H2P  H 0  1 N N N N N N 109.983 45.179 70.319 8.977   2.577  2.522  H2P    FAA 96  
FAA H3P    H3P  H 0  1 N N N N N N 108.909 46.038 68.254 7.856   4.476  3.617  H3P    FAA 97  
FAA HOP4   4HOP H 0  0 N N N N N N 106.975 49.042 68.159 7.015   7.113  2.464  HOP4   FAA 98  
FAA H5P    H5P  H 0  1 N N N N N N 107.302 49.370 70.495 6.450   5.828  -0.186 H5P    FAA 99  
FAA H6P    H6P  H 0  1 N N N N N N 108.372 48.501 72.567 7.582   3.932  -1.274 H6P    FAA 100 
# 
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 
FAA PA    O1A    DOUB N N 1   
FAA PA    O2A    SING N N 2   
FAA PA    O5B    SING N N 3   
FAA PA    O3P    SING N N 4   
FAA O2A   HOA2   SING N N 5   
FAA O5B   C5B    SING N N 6   
FAA C5B   C4B    SING N N 7   
FAA C5B   H51A   SING N N 8   
FAA C5B   H52A   SING N N 9   
FAA C4B   O4B    SING N N 10  
FAA C4B   C3B    SING N N 11  
FAA C4B   H4B    SING N N 12  
FAA O4B   C1B    SING N N 13  
FAA C3B   O3B    SING N N 14  
FAA C3B   C2B    SING N N 15  
FAA C3B   H3B    SING N N 16  
FAA O3B   HO3A   SING N N 17  
FAA C2B   O2B    SING N N 18  
FAA C2B   C1B    SING N N 19  
FAA C2B   H2B    SING N N 20  
FAA O2B   HO2A   SING N N 21  
FAA C1B   N9A    SING N N 22  
FAA C1B   H1B    SING N N 23  
FAA N9A   C8A    SING Y N 24  
FAA N9A   C4A    SING Y N 25  
FAA C8A   N7A    DOUB Y N 26  
FAA C8A   H8A    SING N N 27  
FAA N7A   C5A    SING Y N 28  
FAA C5A   C6A    SING Y N 29  
FAA C5A   C4A    DOUB Y N 30  
FAA C6A   N6A    SING N N 31  
FAA C6A   N1A    DOUB Y N 32  
FAA N6A   H61A   SING N N 33  
FAA N6A   H62A   SING N N 34  
FAA N1A   C2A    SING Y N 35  
FAA C2A   N3A    DOUB Y N 36  
FAA C2A   H2A    SING N N 37  
FAA N3A   C4A    SING Y N 38  
FAA N1    C2     SING N N 39  
FAA N1    C10    DOUB N N 40  
FAA C2    O2     DOUB N N 41  
FAA C2    N3     SING N N 42  
FAA N3    C4     SING N N 43  
FAA N3    HN3    SING N N 44  
FAA C4    O4     DOUB N N 45  
FAA C4    C4X    SING N N 46  
FAA C4X   N5     DOUB N N 47  
FAA C4X   C10    SING N N 48  
FAA N5    C5X    SING N N 49  
FAA N5    C7P    SING N N 50  
FAA C5X   C6     DOUB Y N 51  
FAA C5X   C9A    SING Y N 52  
FAA C6    C7     SING Y N 53  
FAA C6    H6     SING N N 54  
FAA C7    C7M    SING N N 55  
FAA C7    C8     DOUB Y N 56  
FAA C7M   HM71   SING N N 57  
FAA C7M   HM72   SING N N 58  
FAA C7M   HM73   SING N N 59  
FAA C8    C8M    SING N N 60  
FAA C8    C9     SING Y N 61  
FAA C8M   HM81   SING N N 62  
FAA C8M   HM82   SING N N 63  
FAA C8M   HM83   SING N N 64  
FAA C9    C9A    DOUB Y N 65  
FAA C9    H9     SING N N 66  
FAA C9A   N10    SING N N 67  
FAA N10   C10    SING N N 68  
FAA N10   "C1'"  SING N N 69  
FAA "C1'" "C2'"  SING N N 70  
FAA "C1'" "H1'1" SING N N 71  
FAA "C1'" "H1'2" SING N N 72  
FAA "C2'" "O2'"  SING N N 73  
FAA "C2'" "C3'"  SING N N 74  
FAA "C2'" "H2'"  SING N N 75  
FAA "O2'" "HO2'" SING N N 76  
FAA "C3'" "O3'"  SING N N 77  
FAA "C3'" "C4'"  SING N N 78  
FAA "C3'" "H3'"  SING N N 79  
FAA "O3'" "HO3'" SING N N 80  
FAA "C4'" "O4'"  SING N N 81  
FAA "C4'" "C5'"  SING N N 82  
FAA "C4'" "H4'"  SING N N 83  
FAA "O4'" "HO4'" SING N N 84  
FAA "C5'" "O5'"  SING N N 85  
FAA "C5'" "H5'1" SING N N 86  
FAA "C5'" "H5'2" SING N N 87  
FAA "O5'" P      SING N N 88  
FAA P     O1P    DOUB N N 89  
FAA P     O2P    SING N N 90  
FAA P     O3P    SING N N 91  
FAA C7P   C1P    SING N N 92  
FAA C7P   H7P1   SING N N 93  
FAA C7P   H7P2   SING N N 94  
FAA C1P   C2P    DOUB Y N 95  
FAA C1P   C6P    SING Y N 96  
FAA C2P   C3P    SING Y N 97  
FAA C2P   H2P    SING N N 98  
FAA C3P   C4P    DOUB Y N 99  
FAA C3P   H3P    SING N N 100 
FAA C4P   O4P    SING N N 101 
FAA C4P   C5P    SING Y N 102 
FAA O4P   HOP4   SING N N 103 
FAA C5P   C6P    DOUB Y N 104 
FAA C5P   H5P    SING N N 105 
FAA C6P   H6P    SING N N 106 
# 
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 
FAA InChI            InChI                1.03  "InChI=1S/C34H39N9O16P2/c1-15-7-19-20(8-16(15)2)42(31-25(32(50)40-34(51)39-31)41(19)9-17-3-5-18(44)6-4-17)10-21(45)26(47)22(46)11-56-60(52,53)59-61(54,55)57-12-23-27(48)28(49)33(58-23)43-14-38-24-29(35)36-13-37-30(24)43/h3-8,13-14,21-23,26-28,33,45-49H,9-12H2,1-2H3,(H5-,35,36,37,40,44,50,51,52,53,54,55)/t21-,22+,23+,26-,27+,28+,33+/m0/s1" 
FAA InChIKey         InChI                1.03  MEBQXAOFZPAVFQ-RAWNUJITSA-N                                                                                                                                                                                                                                                                                                                          
FAA SMILES_CANONICAL CACTVS               3.385 "Cc1cc2N(C[C@H](O)[C@H](O)[C@H](O)CO[P]([O-])(=O)O[P](O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n4cnc5c(N)ncnc45)C6=NC(=O)NC(=O)C6=[N+](Cc7ccc(O)cc7)c2cc1C"                                                                                                                                                                                             
FAA SMILES           CACTVS               3.385 "Cc1cc2N(C[CH](O)[CH](O)[CH](O)CO[P]([O-])(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)C6=NC(=O)NC(=O)C6=[N+](Cc7ccc(O)cc7)c2cc1C"                                                                                                                                                                                                     
FAA SMILES_CANONICAL "OpenEye OEToolkits" 1.7.5 "Cc1cc2c(cc1C)[N+](=C3C(=O)NC(=O)N=C3N2C[C@@H]([C@@H]([C@@H](COP(=O)([O-])O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O)Cc7ccc(cc7)O"                                                                                                                                                                                          
FAA SMILES           "OpenEye OEToolkits" 1.7.5 "Cc1cc2c(cc1C)[N+](=C3C(=O)NC(=O)N=C3N2CC(C(C(COP(=O)([O-])OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5ncnc6N)O)O)O)O)O)Cc7ccc(cc7)O"                                                                                                                                                                                                                              
# 
_pdbx_chem_comp_identifier.comp_id           FAA 
_pdbx_chem_comp_identifier.type              "SYSTEMATIC NAME" 
_pdbx_chem_comp_identifier.program           "OpenEye OEToolkits" 
_pdbx_chem_comp_identifier.program_version   1.5.0 
_pdbx_chem_comp_identifier.identifier        "[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3S,4S)-2,3,4-trihydroxy-5-[5-[(4-hydroxyphenyl)methyl]-7,8-dimethyl-2,4-dioxo-benzo[g]pteridin-5-ium-10-yl]pentyl] phosphate" 
# 
loop_
_pdbx_chem_comp_audit.comp_id 
_pdbx_chem_comp_audit.action_type 
_pdbx_chem_comp_audit.date 
_pdbx_chem_comp_audit.processing_site 
FAA "Create component"   1999-07-08 EBI  
FAA "Modify descriptor"  2011-06-04 RCSB 
FAA "Modify descriptor"  2012-01-05 RCSB 
FAA "Modify coordinates" 2012-01-05 RCSB 
FAA "Modify PCM"         2024-09-27 PDBE 
# 
_pdbx_chem_comp_pcm.pcm_id                             1 
_pdbx_chem_comp_pcm.comp_id                            FAA 
_pdbx_chem_comp_pcm.modified_residue_id                HIS 
_pdbx_chem_comp_pcm.type                               None 
_pdbx_chem_comp_pcm.category                           Flavin 
_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               C8M 
_pdbx_chem_comp_pcm.modified_residue_id_linking_atom   NE2 
_pdbx_chem_comp_pcm.uniprot_specific_ptm_accession     ? 
_pdbx_chem_comp_pcm.uniprot_generic_ptm_accession      ? 
# 
