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                    2008-10-14 
_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        ? 
_chem_comp.pdbx_ideal_coordinates_missing_flag   Y 
_chem_comp.pdbx_model_coordinates_db_code        1AHU 
_chem_comp.pdbx_subcomponent_list                ? 
_chem_comp.pdbx_processing_site                  EBI 
# 
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.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 96.325  47.567 75.986 4.584   0.646  -0.981 PA     FAA 1   
FAA O1A    AO1  O 0  1 N N N 96.806  48.622 76.923 5.136   -0.150 -2.267 O1A    FAA 2   
FAA O2A    AO2  O 0  1 N N N 95.219  46.663 76.410 4.191   2.015  -1.380 O2A    FAA 3   
FAA O5B    AO5* O 0  1 N N N 95.931  48.281 74.599 5.740   0.723  0.138  O5B    FAA 4   
FAA C5B    AC5* C 0  1 N N N 95.776  47.732 73.319 6.794   1.517  -0.411 C5B    FAA 5   
FAA C4B    AC4* C 0  1 N N R 95.326  48.830 72.378 7.930   1.631  0.608  C4B    FAA 6   
FAA O4B    AO4* O 0  1 N N N 94.713  48.157 71.249 8.539   0.344  0.806  O4B    FAA 7   
FAA C3B    AC3* C 0  1 N N S 94.244  49.729 72.975 9.019   2.580  0.073  C3B    FAA 8   
FAA O3B    AO3* O 0  1 N N N 94.715  51.032 73.026 9.196   3.695  0.950  O3B    FAA 9   
FAA C2B    AC2* C 0  1 N N R 93.107  49.689 71.950 10.300  1.705  0.043  C2B    FAA 10  
FAA O2B    AO2* O 0  1 N N N 93.162  50.736 71.000 11.434  2.447  0.494  O2B    FAA 11  
FAA C1B    AC1* C 0  1 N N R 93.315  48.355 71.261 9.944   0.576  1.044  C1B    FAA 12  
FAA N9A    AN9  N 0  1 Y N N 92.633  47.296 72.003 10.722  -0.633 0.761  N9A    FAA 13  
FAA C8A    AC8  C 0  1 Y N N 93.079  46.633 73.112 10.353  -1.654 -0.063 C8A    FAA 14  
FAA N7A    AN7  N 0  1 Y N N 92.222  45.754 73.574 11.281  -2.567 -0.083 N7A    FAA 15  
FAA C5A    AC5  C 0  1 Y N N 91.132  45.857 72.720 12.301  -2.190 0.725  C5A    FAA 16  
FAA C6A    AC6  C 0  1 Y N N 89.883  45.191 72.663 13.535  -2.755 1.087  C6A    FAA 17  
FAA N6A    AN6  N 0  1 N N N 89.501  44.241 73.526 13.931  -3.979 0.576  N6A    FAA 18  
FAA N1A    AN1  N 0  1 Y N N 89.031  45.537 71.676 14.314  -2.088 1.932  N1A    FAA 19  
FAA C2A    AC2  C 0  1 Y N N 89.403  46.486 70.812 13.945  -0.919 2.425  C2A    FAA 20  
FAA N3A    AN3  N 0  1 Y N N 90.540  47.177 70.764 12.799  -0.351 2.113  N3A    FAA 21  
FAA C4A    AC4  C 0  1 Y N N 91.369  46.813 71.751 11.957  -0.942 1.272  C4A    FAA 22  
FAA N1     N1   N 0  1 N N N 105.667 45.881 71.731 -6.668  -2.050 -2.150 N1     FAA 23  
FAA C2     C2   C 0  1 N N N 105.875 44.901 70.858 -7.268  -3.237 -2.191 C2     FAA 24  
FAA O2     O2   O 0  1 N N N 105.041 44.656 69.988 -6.707  -4.140 -2.787 O2     FAA 25  
FAA N3     N3   N 0  1 N N N 107.027 44.121 70.888 -8.451  -3.502 -1.618 N3     FAA 26  
FAA C4     C4   C 0  1 N N N 107.989 44.277 71.878 -9.132  -2.549 -0.940 C4     FAA 27  
FAA O4     O4   O 0  1 N N N 109.020 43.605 71.849 -10.204 -2.786 -0.419 O4     FAA 28  
FAA C4X    C4A  C 0  1 N N N 107.788 45.383 72.786 -8.515  -1.206 -0.860 C4X    FAA 29  
FAA N5     N5   N 1  1 N N N 108.780 45.736 73.642 -9.087  -0.213 -0.229 N5     FAA 30  
FAA C5X    C5A  C 0  1 Y N N 108.547 46.750 74.512 -8.502  0.991  -0.176 C5X    FAA 31  
FAA C6     C6   C 0  1 Y N N 109.473 46.924 75.546 -9.134  2.047  0.508  C6     FAA 32  
FAA C7     C7   C 0  1 Y N N 109.195 47.784 76.608 -8.539  3.271  0.568  C7     FAA 33  
FAA C7M    C7M  C 0  1 N N N 110.192 47.950 77.729 -9.221  4.396  1.302  C7M    FAA 34  
FAA C8     C8   C 0  1 Y N N 107.966 48.502 76.620 -7.312  3.496  -0.048 C8     FAA 35  
FAA C8M    C8M  C 0  1 N N N 107.632 49.420 77.770 -6.677  4.860  0.030  C8M    FAA 36  
FAA C9     C9   C 0  1 Y N N 107.050 48.335 75.578 -6.670  2.482  -0.723 C9     FAA 37  
FAA C9A    C9A  C 0  1 Y N N 107.328 47.481 74.510 -7.253  1.220  -0.797 C9A    FAA 38  
FAA N10    N10  N 0  1 N N N 106.372 47.167 73.578 -6.614  0.201  -1.472 N10    FAA 39  
FAA C10    C10  C 0  1 N N N 106.570 46.128 72.707 -7.214  -1.021 -1.523 C10    FAA 40  
FAA "C1'"  C1*  C 0  1 N N N 105.103 47.920 73.533 -5.318  0.428  -2.118 "C1'"  FAA 41  
FAA "C2'"  C2*  C 0  1 N N S 104.097 47.322 74.506 -4.194  0.124  -1.127 "C2'"  FAA 42  
FAA "O2'"  O2*  O 0  1 N N N 104.810 46.582 75.489 -4.315  0.982  0.010  "O2'"  FAA 43  
FAA "C3'"  C3*  C 0  1 N N S 103.163 46.365 73.778 -2.841  0.360  -1.802 "C3'"  FAA 44  
FAA "O3'"  O3*  O 0  1 N N N 102.622 46.993 72.623 -2.719  -0.498 -2.938 "O3'"  FAA 45  
FAA "C4'"  C4*  C 0  1 N N R 102.044 45.860 74.688 -1.716  0.056  -0.810 "C4'"  FAA 46  
FAA "O4'"  O4*  O 0  1 N N N 101.662 44.548 74.269 -1.838  0.914  0.326  "O4'"  FAA 47  
FAA "C5'"  C5*  C 0  1 N N N 100.828 46.792 74.724 -0.364  0.293  -1.485 "C5'"  FAA 48  
FAA "O5'"  O5*  O 0  1 N N N 100.046 46.592 75.899 0.686   -0.101 -0.600 "O5'"  FAA 49  
FAA P      P    P 0  1 N N N 98.695  45.786 76.275 2.073   0.173  -1.370 P      FAA 50  
FAA O1P    O1P  O 0  1 N N N 98.743  44.429 75.667 2.168   -0.751 -2.605 O1P    FAA 51  
FAA O2P    O2P  O -1 1 N N N 98.447  45.916 77.740 2.125   1.649  -1.826 O2P    FAA 52  
FAA O3P    O3P  O 0  1 N N N 97.580  46.661 75.474 3.306   -0.127 -0.380 O3P    FAA 53  
FAA C7P    C7P  C 0  1 N N N 109.855 46.256 72.828 -10.382 -0.419 0.425  C7P    FAA 54  
FAA C1P    C1P  C 0  1 Y N N 109.228 46.787 71.563 -10.164 -0.716 1.886  C1P    FAA 55  
FAA C2P    C2P  C 0  1 Y N N 109.386 46.106 70.359 -10.261 0.301  2.819  C2P    FAA 56  
FAA C3P    C3P  C 0  1 Y N N 108.794 46.587 69.205 -10.062 0.031  4.159  C3P    FAA 57  
FAA C4P    C4P  C 0  1 Y N N 108.056 47.761 69.252 -9.765  -1.261 4.569  C4P    FAA 58  
FAA O4P    O4P  O 0  1 N N N 107.481 48.239 68.127 -9.569  -1.529 5.887  O4P    FAA 59  
FAA C5P    C5P  C 0  1 Y N N 107.898 48.443 70.457 -9.669  -2.279 3.631  C5P    FAA 60  
FAA C6P    C6P  C 0  1 Y N N 108.489 47.959 71.614 -9.874  -2.005 2.293  C6P    FAA 61  
FAA HOA2   2HOA H 0  0 N N N 94.912  45.990 75.812 ?       ?      ?      HOA2   FAA 62  
FAA H51A   AH51 H 0  0 N N N 96.695  47.211 72.961 7.167   1.046  -1.320 H51A   FAA 63  
FAA H52A   AH52 H 0  0 N N N 95.090  46.852 73.310 6.415   2.512  -0.646 H52A   FAA 64  
FAA H4B    AH4* H 0  1 N N N 96.208  49.465 72.130 7.542   2.007  1.554  H4B    FAA 65  
FAA H3B    AH3* H 0  1 N N N 93.939  49.404 73.997 8.768   2.922  -0.931 H3B    FAA 66  
FAA HO3A   AHO3 H 0  0 N N N 94.042  51.590 73.397 9.928   4.217  0.595  HO3A   FAA 67  
FAA H2B    AH2* H 0  1 N N N 92.114  49.812 72.443 10.473  1.300  -0.954 H2B    FAA 68  
FAA HO2A   AHO2 H 0  0 N N N 92.456  50.711 70.364 11.603  3.130  -0.170 HO2A   FAA 69  
FAA H1B    AH1* H 0  1 N N N 92.896  48.338 70.227 10.110  0.906  2.070  H1B    FAA 70  
FAA H8A    AH8  H 0  1 N N N 94.056  46.795 73.597 9.427   -1.700 -0.617 H8A    FAA 71  
FAA H61A   AH61 H 0  0 N N N 88.601  43.761 73.485 13.353  -4.457 -0.040 H61A   FAA 72  
FAA H62A   AH62 H 0  0 N N N 89.587  44.635 74.462 14.785  -4.359 0.834  H62A   FAA 73  
FAA H2A    AH2  H 0  1 N N N 88.667  46.733 70.027 14.608  -0.411 3.108  H2A    FAA 74  
FAA HN3    HN3  H 0  1 N N N 107.170 43.416 70.164 -8.826  -4.393 -1.691 HN3    FAA 75  
FAA H6     H6   H 0  1 N N N 110.431 46.378 75.523 -10.088 1.886  0.988  H6     FAA 76  
FAA HM71   1HM7 H 0  0 N N N 109.969 48.637 78.578 -8.907  4.392  2.346  HM71   FAA 77  
FAA HM72   2HM7 H 0  0 N N N 110.425 46.942 78.144 -8.948  5.347  0.845  HM72   FAA 78  
FAA HM73   3HM7 H 0  0 N N N 111.173 48.242 77.287 -10.302 4.264  1.247  HM73   FAA 79  
FAA HM81   1HM8 H 0  0 N N N 106.669 49.982 77.779 -7.005  5.462  -0.818 HM81   FAA 80  
FAA HM82   2HM8 H 0  0 N N N 107.706 48.836 78.717 -6.975  5.348  0.958  HM82   FAA 81  
FAA HM83   3HM8 H 0  0 N N N 108.466 50.150 77.889 -5.592  4.758  0.005  HM83   FAA 82  
FAA H9     H9   H 0  1 N N N 106.094 48.885 75.598 -5.716  2.666  -1.195 H9     FAA 83  
FAA "H1'1" 1H1* H 0  0 N N N 105.259 49.008 73.714 -5.226  -0.227 -2.985 "H1'1" FAA 84  
FAA "H1'2" 2H1* H 0  0 N N N 104.693 47.982 72.497 -5.249  1.467  -2.439 "H1'2" FAA 85  
FAA "H2'"  H2*  H 0  1 N N N 103.501 48.142 74.968 -4.263  -0.916 -0.806 "H2'"  FAA 86  
FAA "HO2'" *HO2 H 0  0 N N N 104.182 46.208 76.096 -4.249  1.889  -0.317 "HO2'" FAA 87  
FAA "H3'"  H3*  H 0  1 N N N 103.761 45.478 73.464 -2.772  1.400  -2.122 "H3'"  FAA 88  
FAA "HO3'" *HO3 H 0  0 N N N 102.039 46.395 72.168 -2.786  -1.405 -2.611 "HO3'" FAA 89  
FAA "H4'"  H4*  H 0  1 N N N 102.439 45.835 75.730 -1.785  -0.983 -0.490 "H4'"  FAA 90  
FAA "HO4'" *HO4 H 0  0 N N N 100.966 44.234 74.834 -1.771  1.822  -0.001 "HO4'" FAA 91  
FAA "H5'1" 1H5* H 0  0 N N N 101.130 47.859 74.613 -0.307  -0.296 -2.401 "H5'1" FAA 92  
FAA "H5'2" 2H5* H 0  0 N N N 100.209 46.689 73.801 -0.258  1.351  -1.726 "H5'2" FAA 93  
FAA H7P1   1H7P H 0  0 N N N 110.481 47.010 73.358 -10.987 0.482  0.323  H7P1   FAA 94  
FAA H7P2   2H7P H 0  0 N N N 110.662 45.510 72.638 -10.896 -1.258 -0.044 H7P2   FAA 95  
FAA H2P    H2P  H 0  1 N N N 109.983 45.179 70.319 -10.492 1.306  2.499  H2P    FAA 96  
FAA H3P    H3P  H 0  1 N N N 108.909 46.038 68.254 -10.137 0.825  4.887  H3P    FAA 97  
FAA HOP4   4HOP H 0  0 N N N 106.975 49.042 68.159 -10.432 -1.760 6.256  HOP4   FAA 98  
FAA H5P    H5P  H 0  1 N N N 107.302 49.370 70.495 -9.437  -3.285 3.948  H5P    FAA 99  
FAA H6P    H6P  H 0  1 N N N 108.372 48.501 72.567 -9.800  -2.797 1.562  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                1.02b 
;InChI=1/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/f/h40,44,54H,35H2
;
FAA InChIKey         InChI                1.02b MEBQXAOFZPAVFQ-ATDPJMNPDR 
FAA SMILES_CANONICAL CACTVS               3.341 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               3.341 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" 1.5.0 Cc1cc2c(cc1C)[N+](=C3C(=O)NC(=O)N=C3N2C[C@@H]([C@@H]([C@@H](CO[P@@](=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" 1.5.0 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" 
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