data_GBF
#

_chem_comp.id                                   GBF
_chem_comp.name                                 "Bacteriochlorophyll g"
_chem_comp.type                                 NON-POLYMER
_chem_comp.pdbx_type                            HETAIN
_chem_comp.formula                              "C50 H58 Mg N4 O5"
_chem_comp.mon_nstd_parent_comp_id              ?
_chem_comp.pdbx_synonyms                        ?
_chem_comp.pdbx_formal_charge                   0
_chem_comp.pdbx_initial_date                    2017-08-11
_chem_comp.pdbx_modified_date                   2017-09-01
_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                       819.324
_chem_comp.one_letter_code                      ?
_chem_comp.three_letter_code                    GBF
_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  Y
_chem_comp.pdbx_model_coordinates_db_code       5V8K
_chem_comp.pdbx_subcomponent_list               ?
_chem_comp.pdbx_processing_site                 RCSB
#   #
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
GBF  MG    MG1  MG  0  0  N  N  N  158.946  88.412   7.147  ?  ?  ?  MG    GBF    1  
GBF  CHA   C1   C   0  1  N  N  N  161.080  91.131   6.777  ?  ?  ?  CHA   GBF    2  
GBF  CHB   C2   C   0  1  N  N  N  156.809  89.790   5.051  ?  ?  ?  CHB   GBF    3  
GBF  CHC   C3   C   0  1  N  N  N  157.145  85.539   7.589  ?  ?  ?  CHC   GBF    4  
GBF  CHD   C4   C   0  1  N  N  N  161.651  86.828   8.946  ?  ?  ?  CHD   GBF    5  
GBF  NA    N1   N   0  1  N  N  S  158.953  90.080   6.123  ?  ?  ?  NA    GBF    6  
GBF  C1A   C5   C   0  1  N  N  N  159.769  91.136   6.077  ?  ?  ?  C1A   GBF    7  
GBF  C2A   C6   C   0  1  N  N  N  159.420  92.312   5.200  ?  ?  ?  C2A   GBF    8  
GBF  C3A   C7   C   0  1  N  N  N  157.983  91.927   4.898  ?  ?  ?  C3A   GBF    9  
GBF  C4A   C8   C   0  1  N  N  N  157.918  90.501   5.369  ?  ?  ?  C4A   GBF   10  
GBF  CMA   C9   C   0  1  N  N  N  156.973  92.762   5.689  ?  ?  ?  CMA   GBF   11  
GBF  CAA   C10  C   0  1  N  N  N  160.206  92.561   3.907  ?  ?  ?  CAA   GBF   12  
GBF  CBA   C11  C   0  1  N  N  N  160.201  91.414   2.902  ?  ?  ?  CBA   GBF   13  
GBF  CGA   C12  C   0  1  N  N  N  161.179  90.363   3.349  ?  ?  ?  CGA   GBF   14  
GBF  O1A   O1   O   0  1  N  N  N  162.312  90.717   3.627  ?  ?  ?  O1A   GBF   15  
GBF  O2A   O2   O   0  1  N  N  N  160.709  89.122   3.939  ?  ?  ?  O2A   GBF   16  
GBF  NB    N2   N   0  1  N  N  N  157.234  87.736   6.328  ?  ?  ?  NB    GBF   17  
GBF  C1B   C13  C   0  1  N  N  N  156.420  88.454   5.556  ?  ?  ?  C1B   GBF   18  
GBF  C2B   C14  C   0  1  N  N  N  155.290  87.684   5.305  ?  ?  ?  C2B   GBF   19  
GBF  C3B   C15  C   0  1  N  N  N  155.421  86.493   6.030  ?  ?  ?  C3B   GBF   20  
GBF  C4B   C16  C   0  1  N  N  N  156.631  86.605   6.707  ?  ?  ?  C4B   GBF   21  
GBF  CMB   C17  C   0  1  N  N  N  154.184  88.097   4.400  ?  ?  ?  CMB   GBF   22  
GBF  CAB   C18  C   0  1  N  N  N  154.522  85.305   6.108  ?  ?  ?  CAB   GBF   23  
GBF  CBB   C19  C   0  1  N  N  N  153.493  85.047   5.338  ?  ?  ?  CBB   GBF   24  
GBF  NC    N3   N   0  1  Y  N  N  159.349  86.615   8.040  ?  ?  ?  NC    GBF   25  
GBF  C1C   C20  C   0  1  Y  N  N  158.507  85.590   8.174  ?  ?  ?  C1C   GBF   26  
GBF  C2C   C21  C   0  1  Y  N  N  158.772  84.333   8.934  ?  ?  ?  C2C   GBF   27  
GBF  C3C   C22  C   0  1  Y  N  N  160.111  84.853   9.227  ?  ?  ?  C3C   GBF   28  
GBF  C4C   C23  C   0  1  Y  N  N  160.395  86.122   8.734  ?  ?  ?  C4C   GBF   29  
GBF  CMC   C24  C   0  1  N  N  N  157.872  84.272  10.161  ?  ?  ?  CMC   GBF   30  
GBF  CAC   C25  C   0  1  N  N  N  161.116  84.091  10.020  ?  ?  ?  CAC   GBF   31  
GBF  CBC   C26  C   0  1  N  N  N  160.844  82.708  10.576  ?  ?  ?  CBC   GBF   32  
GBF  ND    N4   N   0  1  N  N  N  160.854  88.716   7.683  ?  ?  ?  ND    GBF   33  
GBF  C1D   C27  C   0  1  N  N  N  161.803  88.181   8.425  ?  ?  ?  C1D   GBF   34  
GBF  C2D   C28  C   0  1  N  N  N  163.133  88.968   8.820  ?  ?  ?  C2D   GBF   35  
GBF  C3D   C29  C   0  1  N  N  N  162.659  90.074   8.098  ?  ?  ?  C3D   GBF   36  
GBF  C4D   C30  C   0  1  N  N  N  161.407  89.959   7.453  ?  ?  ?  C4D   GBF   37  
GBF  CMD   C31  C   0  1  N  N  N  164.333  88.586   9.622  ?  ?  ?  CMD   GBF   38  
GBF  CAD   C32  C   0  1  N  N  N  163.029  91.508   7.985  ?  ?  ?  CAD   GBF   39  
GBF  OBD   O3   O   0  1  N  N  N  164.169  92.070   8.050  ?  ?  ?  OBD   GBF   40  
GBF  CBD   C33  C   0  1  N  N  R  162.088  92.169   7.030  ?  ?  ?  CBD   GBF   41  
GBF  CGD   C34  C   0  1  N  N  N  161.441  93.379   7.623  ?  ?  ?  CGD   GBF   42  
GBF  O1D   O4   O   0  1  N  N  N  161.049  93.393   8.762  ?  ?  ?  O1D   GBF   43  
GBF  O2D   O5   O   0  1  N  N  N  161.280  94.586   6.882  ?  ?  ?  O2D   GBF   44  
GBF  CED   C35  C   0  1  N  N  N  160.570  95.644   7.526  ?  ?  ?  CED   GBF   45  
GBF  C1    C36  C   0  1  N  N  N  161.663  88.105   4.284  ?  ?  ?  C1    GBF   46  
GBF  C2    C37  C   0  1  N  N  N  161.634  87.056   3.200  ?  ?  ?  C2    GBF   47  
GBF  C3    C38  C   0  1  N  N  N  160.915  85.917   3.230  ?  ?  ?  C3    GBF   48  
GBF  C4    C39  C   0  1  N  N  N  161.018  85.021   2.025  ?  ?  ?  C4    GBF   49  
GBF  C5    C40  C   0  1  N  N  N  160.015  85.509   4.383  ?  ?  ?  C5    GBF   50  
GBF  C6    C41  C   0  1  N  N  N  160.382  84.158   4.964  ?  ?  ?  C6    GBF   51  
GBF  C7    C42  C   0  1  N  N  N  159.124  83.431   5.391  ?  ?  ?  C7    GBF   52  
GBF  C8    C43  C   0  1  N  N  N  159.230  82.296   6.099  ?  ?  ?  C8    GBF   53  
GBF  C9    C44  C   0  1  N  N  N  160.620  81.831   6.449  ?  ?  ?  C9    GBF   54  
GBF  C10   C45  C   0  1  N  N  N  157.975  81.554   6.549  ?  ?  ?  C10   GBF   55  
GBF  C11   C46  C   0  1  N  N  N  158.131  80.048   6.382  ?  ?  ?  C11   GBF   56  
GBF  C12   C47  C   0  1  N  N  N  157.585  79.268   7.578  ?  ?  ?  C12   GBF   57  
GBF  C13   C48  C   0  1  N  N  N  158.277  78.254   8.164  ?  ?  ?  C13   GBF   58  
GBF  C14   C49  C   0  1  N  N  N  159.637  77.843   7.669  ?  ?  ?  C14   GBF   59  
GBF  C15   C50  C   0  1  N  N  N  157.711  77.472   9.341  ?  ?  ?  C15   GBF   60  
GBF  HHB   H1   H   0  1  N  N  N  156.131  90.251   4.348  ?  ?  ?  HHB   GBF   61  
GBF  HHC   H2   H   0  1  N  N  N  156.510  84.696   7.815  ?  ?  ?  HHC   GBF   62  
GBF  HHD   H3   H   0  1  N  N  N  162.460  86.355   9.483  ?  ?  ?  HHD   GBF   63  
GBF  HMA3  H4   H   0  0  N  N  N  155.952  92.443   5.433  ?  ?  ?  HMA3  GBF   64  
GBF  HMA1  H5   H   0  0  N  N  N  157.143  92.618   6.766  ?  ?  ?  HMA1  GBF   65  
GBF  HMA2  H6   H   0  0  N  N  N  157.099  93.825   5.436  ?  ?  ?  HMA2  GBF   66  
GBF  HAA2  H7   H   0  0  N  N  N  159.775  93.445   3.414  ?  ?  ?  HAA2  GBF   67  
GBF  HAA1  H8   H   0  0  N  N  N  161.251  92.767   4.181  ?  ?  ?  HAA1  GBF   68  
GBF  HBA1  H9   H   0  0  N  N  N  159.193  90.978   2.845  ?  ?  ?  HBA1  GBF   69  
GBF  HBA2  H10  H   0  0  N  N  N  160.493  91.791   1.911  ?  ?  ?  HBA2  GBF   70  
GBF  HMB3  H11  H   0  0  N  N  N  153.415  87.311   4.377  ?  ?  ?  HMB3  GBF   71  
GBF  HMB2  H12  H   0  0  N  N  N  153.740  89.034   4.768  ?  ?  ?  HMB2  GBF   72  
GBF  HMB1  H13  H   0  0  N  N  N  154.579  88.252   3.385  ?  ?  ?  HMB1  GBF   73  
GBF  HAB   H14  H   0  1  N  N  N  155.188  84.437   5.994  ?  ?  ?  HAB   GBF   74  
GBF  H1    H15  H   0  1  N  N  N  154.115  85.323   7.130  ?  ?  ?  H1    GBF   75  
GBF  HBB3  H16  H   0  0  N  N  N  153.033  84.096   5.646  ?  ?  ?  HBB3  GBF   76  
GBF  HBB2  H17  H   0  0  N  N  N  152.755  85.857   5.429  ?  ?  ?  HBB2  GBF   77  
GBF  H3    H18  H   0  1  N  N  N  153.827  84.971   4.293  ?  ?  ?  H3    GBF   78  
GBF  HMC2  H19  H   0  0  N  N  N  157.332  83.314  10.173  ?  ?  ?  HMC2  GBF   79  
GBF  HMC3  H20  H   0  0  N  N  N  158.485  84.358  11.070  ?  ?  ?  HMC3  GBF   80  
GBF  HMC1  H21  H   0  0  N  N  N  157.149  85.100  10.127  ?  ?  ?  HMC1  GBF   81  
GBF  HAC1  H22  H   0  0  N  N  N  162.001  83.991   9.374  ?  ?  ?  HAC1  GBF   82  
GBF  H4    H23  H   0  1  N  N  N  161.364  84.723  10.885  ?  ?  ?  H4    GBF   83  
GBF  HBC3  H24  H   0  0  N  N  N  161.730  82.351  11.122  ?  ?  ?  HBC3  GBF   84  
GBF  HBC2  H25  H   0  0  N  N  N  159.984  82.751  11.260  ?  ?  ?  HBC2  GBF   85  
GBF  HBC1  H26  H   0  0  N  N  N  160.621  82.018   9.749  ?  ?  ?  HBC1  GBF   86  
GBF  HMD1  H27  H   0  0  N  N  N  165.036  89.431   9.656  ?  ?  ?  HMD1  GBF   87  
GBF  HMD2  H28  H   0  0  N  N  N  164.023  88.326  10.645  ?  ?  ?  HMD2  GBF   88  
GBF  HMD3  H29  H   0  0  N  N  N  164.824  87.719   9.156  ?  ?  ?  HMD3  GBF   89  
GBF  HBD   H30  H   0  1  N  N  N  162.613  92.435   6.100  ?  ?  ?  HBD   GBF   90  
GBF  HED1  H31  H   0  0  N  N  N  160.516  96.513   6.853  ?  ?  ?  HED1  GBF   91  
GBF  HED3  H32  H   0  0  N  N  N  159.552  95.306   7.772  ?  ?  ?  HED3  GBF   92  
GBF  HED2  H33  H   0  0  N  N  N  161.095  95.928   8.450  ?  ?  ?  HED2  GBF   93  
GBF  H12   H34  H   0  1  N  N  N  162.669  88.544   4.353  ?  ?  ?  H12   GBF   94  
GBF  H11   H35  H   0  1  N  N  N  161.394  87.652   5.250  ?  ?  ?  H11   GBF   95  
GBF  H2    H36  H   0  1  N  N  N  162.242  87.233   2.325  ?  ?  ?  H2    GBF   96  
GBF  H41   H37  H   0  1  N  N  N  160.388  84.132   2.174  ?  ?  ?  H41   GBF   97  
GBF  H43   H38  H   0  1  N  N  N  160.677  85.566   1.133  ?  ?  ?  H43   GBF   98  
GBF  H42   H39  H   0  1  N  N  N  162.064  84.710   1.888  ?  ?  ?  H42   GBF   99  
GBF  H52   H40  H   0  1  N  N  N  160.095  86.267   5.177  ?  ?  ?  H52   GBF  100  
GBF  H51   H41  H   0  1  N  N  N  158.977  85.466   4.021  ?  ?  ?  H51   GBF  101  
GBF  H62   H42  H   0  1  N  N  N  160.909  83.563   4.203  ?  ?  ?  H62   GBF  102  
GBF  H61   H43  H   0  1  N  N  N  161.037  84.300   5.836  ?  ?  ?  H61   GBF  103  
GBF  H71   H44  H   0  1  N  N  N  158.152  83.822   5.129  ?  ?  ?  H71   GBF  104  
GBF  H92   H45  H   0  1  N  N  N  160.560  80.896   7.026  ?  ?  ?  H92   GBF  105  
GBF  H93   H46  H   0  1  N  N  N  161.191  81.656   5.525  ?  ?  ?  H93   GBF  106  
GBF  H91   H47  H   0  1  N  N  N  161.123  82.602   7.051  ?  ?  ?  H91   GBF  107  
GBF  H102  H48  H   0  0  N  N  N  157.787  81.779   7.609  ?  ?  ?  H102  GBF  108  
GBF  H101  H49  H   0  0  N  N  N  157.121  81.895   5.945  ?  ?  ?  H101  GBF  109  
GBF  H111  H50  H   0  0  N  N  N  157.587  79.735   5.478  ?  ?  ?  H111  GBF  110  
GBF  H112  H51  H   0  0  N  N  N  159.200  79.814   6.266  ?  ?  ?  H112  GBF  111  
GBF  H121  H52  H   0  0  N  N  N  156.615  79.532   7.972  ?  ?  ?  H121  GBF  112  
GBF  H142  H53  H   0  0  N  N  N  160.014  77.010   8.280  ?  ?  ?  H142  GBF  113  
GBF  H141  H54  H   0  0  N  N  N  159.564  77.523   6.619  ?  ?  ?  H141  GBF  114  
GBF  H143  H55  H   0  0  N  N  N  160.328  78.696   7.745  ?  ?  ?  H143  GBF  115  
GBF  H152  H56  H   0  0  N  N  N  158.434  76.704   9.653  ?  ?  ?  H152  GBF  116  
GBF  H151  H57  H   0  0  N  N  N  157.520  78.158  10.179  ?  ?  ?  H151  GBF  117  
GBF  H5    H58  H   0  1  N  N  N  156.770  76.989   9.041  ?  ?  ?  H5    GBF  118  
#   #
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
GBF  MG   NA    SING  N  N    1  
GBF  MG   NB    SING  N  N    2  
GBF  MG   NC    SING  N  N    3  
GBF  MG   ND    SING  N  N    4  
GBF  CHA  C1A   DOUB  N  N    5  
GBF  CHA  C4D   SING  N  N    6  
GBF  CHA  CBD   SING  N  N    7  
GBF  CHB  C4A   DOUB  N  N    8  
GBF  CHB  C1B   SING  N  N    9  
GBF  CHC  C4B   DOUB  N  N   10  
GBF  CHC  C1C   SING  N  N   11  
GBF  CHD  C4C   SING  N  N   12  
GBF  CHD  C1D   DOUB  N  N   13  
GBF  NA   C1A   SING  N  N   14  
GBF  NA   C4A   SING  N  N   15  
GBF  C1A  C2A   SING  N  N   16  
GBF  C2A  C3A   DOUB  N  N   17  
GBF  C2A  CAA   SING  N  N   18  
GBF  C3A  C4A   SING  N  N   19  
GBF  C3A  CMA   SING  N  N   20  
GBF  CAA  CBA   SING  N  N   21  
GBF  CBA  CGA   SING  N  N   22  
GBF  CGA  O1A   DOUB  N  N   23  
GBF  CGA  O2A   SING  N  N   24  
GBF  O2A  C1    SING  N  N   25  
GBF  NB   C1B   DOUB  N  N   26  
GBF  NB   C4B   SING  N  N   27  
GBF  C1B  C2B   SING  N  N   28  
GBF  C2B  C3B   DOUB  N  N   29  
GBF  C2B  CMB   SING  N  N   30  
GBF  C3B  C4B   SING  N  N   31  
GBF  C3B  CAB   SING  N  N   32  
GBF  CAB  CBB   SING  N  N   33  
GBF  NC   C1C   SING  Y  N   34  
GBF  NC   C4C   SING  Y  N   35  
GBF  C1C  C2C   DOUB  Y  N   36  
GBF  C2C  C3C   SING  Y  N   37  
GBF  C2C  CMC   SING  N  N   38  
GBF  C3C  C4C   DOUB  Y  N   39  
GBF  C3C  CAC   SING  N  N   40  
GBF  CAC  CBC   SING  N  N   41  
GBF  ND   C1D   SING  N  N   42  
GBF  ND   C4D   DOUB  N  N   43  
GBF  C1D  C2D   SING  N  N   44  
GBF  C2D  C3D   DOUB  N  N   45  
GBF  C2D  CMD   SING  N  N   46  
GBF  C3D  C4D   SING  N  N   47  
GBF  C3D  CAD   SING  N  N   48  
GBF  CAD  OBD   DOUB  N  N   49  
GBF  CAD  CBD   SING  N  N   50  
GBF  CBD  CGD   SING  N  N   51  
GBF  CGD  O1D   DOUB  N  N   52  
GBF  CGD  O2D   SING  N  N   53  
GBF  O2D  CED   SING  N  N   54  
GBF  C1   C2    SING  N  N   55  
GBF  C2   C3    DOUB  N  Z   56  
GBF  C3   C4    SING  N  N   57  
GBF  C3   C5    SING  N  N   58  
GBF  C5   C6    SING  N  N   59  
GBF  C6   C7    SING  N  N   60  
GBF  C7   C8    DOUB  N  E   61  
GBF  C8   C9    SING  N  N   62  
GBF  C8   C10   SING  N  N   63  
GBF  C10  C11   SING  N  N   64  
GBF  C11  C12   SING  N  N   65  
GBF  C12  C13   DOUB  N  N   66  
GBF  C13  C14   SING  N  N   67  
GBF  C13  C15   SING  N  N   68  
GBF  CHB  HHB   SING  N  N   69  
GBF  CHC  HHC   SING  N  N   70  
GBF  CHD  HHD   SING  N  N   71  
GBF  CMA  HMA3  SING  N  N   72  
GBF  CMA  HMA1  SING  N  N   73  
GBF  CMA  HMA2  SING  N  N   74  
GBF  CAA  HAA2  SING  N  N   75  
GBF  CAA  HAA1  SING  N  N   76  
GBF  CBA  HBA1  SING  N  N   77  
GBF  CBA  HBA2  SING  N  N   78  
GBF  CMB  HMB3  SING  N  N   79  
GBF  CMB  HMB2  SING  N  N   80  
GBF  CMB  HMB1  SING  N  N   81  
GBF  CAB  HAB   SING  N  N   82  
GBF  CAB  H1    SING  N  N   83  
GBF  CBB  HBB3  SING  N  N   84  
GBF  CBB  HBB2  SING  N  N   85  
GBF  CBB  H3    SING  N  N   86  
GBF  CMC  HMC2  SING  N  N   87  
GBF  CMC  HMC3  SING  N  N   88  
GBF  CMC  HMC1  SING  N  N   89  
GBF  CAC  HAC1  SING  N  N   90  
GBF  CAC  H4    SING  N  N   91  
GBF  CBC  HBC3  SING  N  N   92  
GBF  CBC  HBC2  SING  N  N   93  
GBF  CBC  HBC1  SING  N  N   94  
GBF  CMD  HMD1  SING  N  N   95  
GBF  CMD  HMD2  SING  N  N   96  
GBF  CMD  HMD3  SING  N  N   97  
GBF  CBD  HBD   SING  N  N   98  
GBF  CED  HED1  SING  N  N   99  
GBF  CED  HED3  SING  N  N  100  
GBF  CED  HED2  SING  N  N  101  
GBF  C1   H12   SING  N  N  102  
GBF  C1   H11   SING  N  N  103  
GBF  C2   H2    SING  N  N  104  
GBF  C4   H41   SING  N  N  105  
GBF  C4   H43   SING  N  N  106  
GBF  C4   H42   SING  N  N  107  
GBF  C5   H52   SING  N  N  108  
GBF  C5   H51   SING  N  N  109  
GBF  C6   H62   SING  N  N  110  
GBF  C6   H61   SING  N  N  111  
GBF  C7   H71   SING  N  N  112  
GBF  C9   H92   SING  N  N  113  
GBF  C9   H93   SING  N  N  114  
GBF  C9   H91   SING  N  N  115  
GBF  C10  H102  SING  N  N  116  
GBF  C10  H101  SING  N  N  117  
GBF  C11  H111  SING  N  N  118  
GBF  C11  H112  SING  N  N  119  
GBF  C12  H121  SING  N  N  120  
GBF  C14  H142  SING  N  N  121  
GBF  C14  H141  SING  N  N  122  
GBF  C14  H143  SING  N  N  123  
GBF  C15  H152  SING  N  N  124  
GBF  C15  H151  SING  N  N  125  
GBF  C15  H5    SING  N  N  126  
#   #
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
GBF  SMILES            ACDLabs               12.01  "[Mg]321N4C5=C9C8=N1C(=Cc7n2c(C=C6N3=C(C=C4C(=C5CCC(=O)OC\C=C(\C)CC\C=C(/C)CC\C=C(/C)C)C)C(=C6CC)C)c(c7CC)C)C(=C8C(=O)C9C(=O)OC)C"  
GBF  InChI             InChI                 1.03   "InChI=1S/C50H59N4O5.Mg/c1-12-34-30(7)37-24-39-32(9)36(20-21-43(55)59-23-22-29(6)19-15-18-28(5)17-14-16-27(3)4)47(53-39)45-46(50(57)58-11)49(56)44-33(10)40(54-48(44)45)26-42-35(13-2)31(8)38(52-42)25-41(34)51-37;/h16,18,22,24-26,46H,12-15,17,19-21,23H2,1-11H3,(H-,51,52,53,54,56);/q-1;+2/p-1/b28-18+,29-22-,37-24-,38-25-,39-24-,40-26-,41-25-,42-26-,47-45-;/t46-;/m1./s1"  
GBF  InChIKey          InChI                 1.03   LRFAKGNZCOQNAG-QZHKZBCOSA-M  
GBF  SMILES_CANONICAL  CACTVS                3.385  "CCC1=C(C)C2=NC1=Cc3n4[Mg][N@]5C(=C2)C(=C(CCC(=O)OC\C=C(\C)CC\C=C(/C)CCC=C(C)C)C5=C6[C@@H](C(=O)OC)C(=O)C7=C(C)C(=Cc4c(CC)c3C)N=C67)C"  
GBF  SMILES            CACTVS                3.385  "CCC1=C(C)C2=NC1=Cc3n4[Mg][N]5C(=C2)C(=C(CCC(=O)OCC=C(C)CCC=C(C)CCC=C(C)C)C5=C6[CH](C(=O)OC)C(=O)C7=C(C)C(=Cc4c(CC)c3C)N=C67)C"  
GBF  SMILES_CANONICAL  "OpenEye OEToolkits"  2.0.6  "CCc1c(c2n3c1C=C4C(=C5C(=O)[C@@H](C6=C7C(=C(C8=CC9=[N]([Mg]3(N87)[N]4=C65)C(=C2)C(=C9C)CC)C)CCC(=O)OC/C=C(/C)\CC/C=C(\C)/CCC=C(C)C)C(=O)OC)C)C"  
GBF  SMILES            "OpenEye OEToolkits"  2.0.6  "CCc1c(c2n3c1C=C4C(=C5C(=O)C(C6=C7C(=C(C8=CC9=[N]([Mg]3(N87)[N]4=C65)C(=C2)C(=C9C)CC)C)CCC(=O)OCC=C(C)CCC=C(C)CCC=C(C)C)C(=O)OC)C)C"  
#
_pdbx_chem_comp_identifier.comp_id          GBF
_pdbx_chem_comp_identifier.type             "SYSTEMATIC NAME"
_pdbx_chem_comp_identifier.program          ACDLabs
_pdbx_chem_comp_identifier.program_version  12.01
_pdbx_chem_comp_identifier.identifier       "[methyl 9,14-diethyl-4,8,13,18-tetramethyl-20-oxo-3-{3-oxo-3-[(3,7,11-trimethyldodeca-2,6,10-trien-1-yl)oxy]propyl}-3,4,23,25-tetradehydro-24,26-dihydrophorbine-21-carboxylatato(2-)-kappa~4~N~23~,N~24~,N~25~,N~26~]magnesium"
#   #
loop_
_pdbx_chem_comp_audit.comp_id
_pdbx_chem_comp_audit.action_type
_pdbx_chem_comp_audit.date
_pdbx_chem_comp_audit.processing_site
GBF  "Create component"    2017-08-11  RCSB  
GBF  "Other modification"  2017-08-16  RCSB  
GBF  "Modify name"         2017-08-16  RCSB  
GBF  "Other modification"  2017-08-31  RCSB  
GBF  "Initial release"     2017-09-06  RCSB  
##
