data_GB0
#

_chem_comp.id                                   GB0
_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                   2020-05-27
_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                       819.324
_chem_comp.one_letter_code                      ?
_chem_comp.three_letter_code                    GB0
_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
GB0  C1    C1   C   0  1  N  N  N  130.469  83.683   8.062  ?  ?  ?  C1    GB0    1  
GB0  C2    C2   C   0  1  N  N  N  129.969  84.800   8.929  ?  ?  ?  C2    GB0    2  
GB0  C3    C3   C   0  1  N  N  N  129.467  85.862   8.350  ?  ?  ?  C3    GB0    3  
GB0  C4    C4   C   0  1  N  N  N  129.378  85.984   6.870  ?  ?  ?  C4    GB0    4  
GB0  C5    C5   C   0  1  N  N  N  128.993  86.950   9.223  ?  ?  ?  C5    GB0    5  
GB0  C6    C6   C   0  1  N  N  N  127.562  87.283   8.901  ?  ?  ?  C6    GB0    6  
GB0  NB    N1   N   0  1  N  N  N  132.915  88.569   0.033  ?  ?  ?  NB    GB0    7  
GB0  ND    N2   N   0  1  N  N  N  134.185  90.516   3.236  ?  ?  ?  ND    GB0    8  
GB0  C10   C7   C   0  1  N  N  N  126.228  89.369  11.859  ?  ?  ?  C10   GB0    9  
GB0  C11   C8   C   0  1  N  N  N  124.850  89.156  12.450  ?  ?  ?  C11   GB0   10  
GB0  C12   C9   C   0  1  N  N  N  124.316  90.473  12.964  ?  ?  ?  C12   GB0   11  
GB0  C13   C10  C   0  1  N  N  N  123.346  90.485  13.889  ?  ?  ?  C13   GB0   12  
GB0  C14   C11  C   0  1  N  N  N  122.811  89.217  14.457  ?  ?  ?  C14   GB0   13  
GB0  C15   C12  C   0  1  N  N  N  122.728  91.762  14.388  ?  ?  ?  C15   GB0   14  
GB0  C1A   C13  C   0  1  N  N  N  133.866  87.525   4.002  ?  ?  ?  C1A   GB0   15  
GB0  C1B   C14  C   0  1  N  N  N  132.971  87.256  -0.182  ?  ?  ?  C1B   GB0   16  
GB0  C1C   C15  C   0  1  Y  N  N  133.083  91.628  -0.348  ?  ?  ?  C1C   GB0   17  
GB0  C1D   C16  C   0  1  N  N  N  134.558  91.718   3.578  ?  ?  ?  C1D   GB0   18  
GB0  C2A   C17  C   0  1  N  N  N  134.159  86.082   4.351  ?  ?  ?  C2A   GB0   19  
GB0  C2B   C18  C   0  1  N  N  N  132.674  87.033  -1.513  ?  ?  ?  C2B   GB0   20  
GB0  C2C   C19  C   0  1  Y  N  N  132.908  93.006  -0.878  ?  ?  ?  C2C   GB0   21  
GB0  C2D   C20  C   0  1  N  N  N  135.047  92.109   5.032  ?  ?  ?  C2D   GB0   22  
GB0  C3A   C21  C   0  1  N  N  N  134.355  85.486   2.975  ?  ?  ?  C3A   GB0   23  
GB0  C3B   C22  C   0  1  N  N  N  132.439  88.241  -2.128  ?  ?  ?  C3B   GB0   24  
GB0  C3C   C23  C   0  1  Y  N  N  133.493  93.505   0.385  ?  ?  ?  C3C   GB0   25  
GB0  C3D   C24  C   0  1  N  N  N  134.848  90.786   5.416  ?  ?  ?  C3D   GB0   26  
GB0  C4A   C25  C   0  1  N  N  N  133.771  86.607   2.166  ?  ?  ?  C4A   GB0   27  
GB0  C4B   C26  C   0  1  N  N  N  132.645  89.204  -1.140  ?  ?  ?  C4B   GB0   28  
GB0  C4C   C27  C   0  1  Y  N  N  133.889  92.551   1.306  ?  ?  ?  C4C   GB0   29  
GB0  C4D   C28  C   0  1  N  N  N  134.380  89.861   4.431  ?  ?  ?  C4D   GB0   30  
GB0  C7    C29  C   0  1  N  N  N  127.147  88.413   9.798  ?  ?  ?  C7    GB0   31  
GB0  C8    C30  C   0  1  N  N  N  126.617  88.190  11.004  ?  ?  ?  C8    GB0   32  
GB0  C9    C31  C   0  1  N  N  N  126.478  86.793  11.518  ?  ?  ?  C9    GB0   33  
GB0  CAA   C32  C   0  1  N  N  N  133.025  85.406   5.108  ?  ?  ?  CAA   GB0   34  
GB0  CAB   C33  C   0  1  N  N  N  132.056  88.298  -3.565  ?  ?  ?  CAB   GB0   35  
GB0  CAC   C34  C   0  1  N  N  N  133.692  94.926   0.737  ?  ?  ?  CAC   GB0   36  
GB0  CAD   C35  C   0  1  N  N  N  135.014  90.047   6.671  ?  ?  ?  CAD   GB0   37  
GB0  CBA   C36  C   0  1  N  N  N  133.429  84.012   5.578  ?  ?  ?  CBA   GB0   38  
GB0  CBB   C37  C   0  1  N  N  N  132.096  89.321  -4.353  ?  ?  ?  CBB   GB0   39  
GB0  CBC   C38  C   0  1  N  N  N  133.316  96.060  -0.188  ?  ?  ?  CBC   GB0   40  
GB0  CBD   C39  C   0  1  N  N  S  134.636  88.618   6.411  ?  ?  ?  CBD   GB0   41  
GB0  CED   C40  C   0  1  N  N  N  132.938  87.386   9.524  ?  ?  ?  CED   GB0   42  
GB0  CGA   C41  C   0  1  N  N  N  132.329  83.379   6.398  ?  ?  ?  CGA   GB0   43  
GB0  CGD   C42  C   0  1  N  N  N  133.507  88.311   7.322  ?  ?  ?  CGD   GB0   44  
GB0  CHA   C43  C   0  1  N  N  N  134.314  88.563   4.960  ?  ?  ?  CHA   GB0   45  
GB0  CHB   C44  C   0  1  N  N  N  133.324  86.327   0.904  ?  ?  ?  CHB   GB0   46  
GB0  CHC   C45  C   0  1  N  N  N  132.582  90.666  -1.352  ?  ?  ?  CHC   GB0   47  
GB0  CHD   C46  C   0  1  N  N  N  134.477  92.824   2.616  ?  ?  ?  CHD   GB0   48  
GB0  CMA   C47  C   0  1  N  N  N  135.822  85.255   2.542  ?  ?  ?  CMA   GB0   49  
GB0  CMB   C48  C   0  1  N  N  N  132.515  85.725  -2.198  ?  ?  ?  CMB   GB0   50  
GB0  CMC   C49  C   0  1  N  N  N  133.793  93.203  -2.114  ?  ?  ?  CMC   GB0   51  
GB0  CMD   C50  C   0  1  N  N  N  135.500  93.347   5.680  ?  ?  ?  CMD   GB0   52  
GB0  NA    N3   N   0  1  N  N  R  133.857  87.821   2.700  ?  ?  ?  NA    GB0   53  
GB0  NC    N4   N   0  1  Y  N  N  133.606  91.330   0.829  ?  ?  ?  NC    GB0   54  
GB0  O1A   O1   O   0  1  N  N  N  131.803  82.320   6.080  ?  ?  ?  O1A   GB0   55  
GB0  O1D   O2   O   0  1  N  N  N  132.348  88.667   7.151  ?  ?  ?  O1D   GB0   56  
GB0  O2A   O3   O   0  1  N  N  N  131.659  84.164   7.419  ?  ?  ?  O2A   GB0   57  
GB0  O2D   O4   O   0  1  N  N  N  133.862  87.575   8.483  ?  ?  ?  O2D   GB0   58  
GB0  OBD   O5   O   0  1  N  N  N  135.460  90.336   7.831  ?  ?  ?  OBD   GB0   59  
GB0  MG    MG1  MG  0  0  N  N  N  133.836  89.468   1.598  ?  ?  ?  MG    GB0   60  
GB0  H12   H1   H   0  1  N  N  N  130.700  82.800   8.676  ?  ?  ?  H12   GB0   61  
GB0  H11   H2   H   0  1  N  N  N  129.712  83.418   7.310  ?  ?  ?  H11   GB0   62  
GB0  H2    H3   H   0  1  N  N  N  130.022  84.730  10.005  ?  ?  ?  H2    GB0   63  
GB0  H41   H4   H   0  1  N  N  N  128.926  86.952   6.608  ?  ?  ?  H41   GB0   64  
GB0  H42   H5   H   0  1  N  N  N  130.387  85.921   6.436  ?  ?  ?  H42   GB0   65  
GB0  H43   H6   H   0  1  N  N  N  128.755  85.169   6.472  ?  ?  ?  H43   GB0   66  
GB0  H51   H7   H   0  1  N  N  N  129.065  86.632  10.273  ?  ?  ?  H51   GB0   67  
GB0  H52   H8   H   0  1  N  N  N  129.618  87.841   9.066  ?  ?  ?  H52   GB0   68  
GB0  H62   H9   H   0  1  N  N  N  127.476  87.589   7.848  ?  ?  ?  H62   GB0   69  
GB0  H61   H10  H   0  1  N  N  N  126.923  86.406   9.082  ?  ?  ?  H61   GB0   70  
GB0  H102  H11  H   0  0  N  N  N  126.221  90.279  11.241  ?  ?  ?  H102  GB0   71  
GB0  H101  H12  H   0  0  N  N  N  126.959  89.484  12.673  ?  ?  ?  H101  GB0   72  
GB0  H112  H13  H   0  0  N  N  N  124.175  88.763  11.675  ?  ?  ?  H112  GB0   73  
GB0  H111  H14  H   0  0  N  N  N  124.914  88.437  13.280  ?  ?  ?  H111  GB0   74  
GB0  H121  H15  H   0  0  N  N  N  124.715  91.403  12.587  ?  ?  ?  H121  GB0   75  
GB0  H141  H16  H   0  0  N  N  N  122.028  89.447  15.194  ?  ?  ?  H141  GB0   76  
GB0  H143  H17  H   0  0  N  N  N  122.385  88.604  13.649  ?  ?  ?  H143  GB0   77  
GB0  H142  H18  H   0  0  N  N  N  123.625  88.663  14.948  ?  ?  ?  H142  GB0   78  
GB0  H151  H19  H   0  0  N  N  N  121.959  91.529  15.139  ?  ?  ?  H151  GB0   79  
GB0  H6    H20  H   0  1  N  N  N  123.506  92.392  14.844  ?  ?  ?  H6    GB0   80  
GB0  H1    H21  H   0  1  N  N  N  122.267  92.300  13.546  ?  ?  ?  H1    GB0   81  
GB0  H71   H22  H   0  1  N  N  N  127.280  89.430   9.460  ?  ?  ?  H71   GB0   82  
GB0  H93   H23  H   0  1  N  N  N  126.813  86.083  10.747  ?  ?  ?  H93   GB0   83  
GB0  H91   H24  H   0  1  N  N  N  127.095  86.672  12.421  ?  ?  ?  H91   GB0   84  
GB0  H92   H25  H   0  1  N  N  N  125.424  86.596  11.765  ?  ?  ?  H92   GB0   85  
GB0  HAA2  H26  H   0  0  N  N  N  132.763  86.018   5.984  ?  ?  ?  HAA2  GB0   86  
GB0  HAA1  H27  H   0  0  N  N  N  132.151  85.322   4.445  ?  ?  ?  HAA1  GB0   87  
GB0  H7    H28  H   0  1  N  N  N  132.690  87.543  -4.054  ?  ?  ?  H7    GB0   88  
GB0  H3    H29  H   0  1  N  N  N  131.007  87.967  -3.589  ?  ?  ?  H3    GB0   89  
GB0  H4    H30  H   0  1  N  N  N  133.126  95.091   1.666  ?  ?  ?  H4    GB0   90  
GB0  H8    H31  H   0  1  N  N  N  134.767  95.042   0.938  ?  ?  ?  H8    GB0   91  
GB0  HBA1  H32  H   0  0  N  N  N  133.632  83.381   4.700  ?  ?  ?  HBA1  GB0   92  
GB0  HBA2  H33  H   0  0  N  N  N  134.338  84.089   6.193  ?  ?  ?  HBA2  GB0   93  
GB0  H5    H34  H   0  1  N  N  N  131.745  89.028  -5.354  ?  ?  ?  H5    GB0   94  
GB0  HBB1  H35  H   0  0  N  N  N  131.447  90.115  -3.956  ?  ?  ?  HBB1  GB0   95  
GB0  H9    H36  H   0  1  N  N  N  133.130  89.691  -4.421  ?  ?  ?  H9    GB0   96  
GB0  HBC3  H37  H   0  0  N  N  N  133.558  97.020   0.291  ?  ?  ?  HBC3  GB0   97  
GB0  HBC2  H38  H   0  0  N  N  N  133.879  95.968  -1.129  ?  ?  ?  HBC2  GB0   98  
GB0  HBC1  H39  H   0  0  N  N  N  132.238  96.017  -0.401  ?  ?  ?  HBC1  GB0   99  
GB0  HBD   H40  H   0  1  N  N  N  135.489  87.960   6.632  ?  ?  ?  HBD   GB0  100  
GB0  HED2  H41  H   0  0  N  N  N  133.404  86.794  10.326  ?  ?  ?  HED2  GB0  101  
GB0  HED3  H42  H   0  0  N  N  N  132.630  88.364   9.922  ?  ?  ?  HED3  GB0  102  
GB0  HED1  H43  H   0  0  N  N  N  132.057  86.852   9.139  ?  ?  ?  HED1  GB0  103  
GB0  HHB   H44  H   0  1  N  N  N  133.215  85.278   0.672  ?  ?  ?  HHB   GB0  104  
GB0  HHC2  H45  H   0  0  N  N  N  132.156  91.043  -2.270  ?  ?  ?  HHC2  GB0  105  
GB0  HHD1  H46  H   0  0  N  N  N  134.841  93.809   2.868  ?  ?  ?  HHD1  GB0  106  
GB0  HMA3  H47  H   0  0  N  N  N  135.843  84.821   1.531  ?  ?  ?  HMA3  GB0  107  
GB0  HMA1  H48  H   0  0  N  N  N  136.359  86.215   2.540  ?  ?  ?  HMA1  GB0  108  
GB0  HMA2  H49  H   0  0  N  N  N  136.308  84.565   3.247  ?  ?  ?  HMA2  GB0  109  
GB0  HMB1  H50  H   0  0  N  N  N  132.280  85.893  -3.259  ?  ?  ?  HMB1  GB0  110  
GB0  HMB3  H51  H   0  0  N  N  N  133.450  85.152  -2.116  ?  ?  ?  HMB3  GB0  111  
GB0  HMB2  H52  H   0  0  N  N  N  131.697  85.161  -1.726  ?  ?  ?  HMB2  GB0  112  
GB0  HMC1  H53  H   0  0  N  N  N  133.175  93.545  -2.957  ?  ?  ?  HMC1  GB0  113  
GB0  HMC3  H54  H   0  0  N  N  N  134.564  93.956  -1.896  ?  ?  ?  HMC3  GB0  114  
GB0  HMC2  H55  H   0  0  N  N  N  134.275  92.249  -2.375  ?  ?  ?  HMC2  GB0  115  
GB0  HMD3  H56  H   0  0  N  N  N  135.746  93.142   6.732  ?  ?  ?  HMD3  GB0  116  
GB0  HMD2  H57  H   0  0  N  N  N  136.393  93.726   5.162  ?  ?  ?  HMD2  GB0  117  
GB0  HMD1  H58  H   0  0  N  N  N  134.700  94.100   5.631  ?  ?  ?  HMD1  GB0  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
GB0  C1   C2    SING  N  N    1  
GB0  C1   O2A   SING  N  N    2  
GB0  C2   C3    DOUB  N  E    3  
GB0  C3   C4    SING  N  N    4  
GB0  C3   C5    SING  N  N    5  
GB0  C5   C6    SING  N  N    6  
GB0  C6   C7    SING  N  N    7  
GB0  NB   C1B   DOUB  N  N    8  
GB0  NB   C4B   SING  N  N    9  
GB0  NB   MG    SING  N  N   10  
GB0  ND   C1D   SING  N  N   11  
GB0  ND   C4D   DOUB  N  N   12  
GB0  ND   MG    SING  N  N   13  
GB0  C10  C11   SING  N  N   14  
GB0  C10  C8    SING  N  N   15  
GB0  C11  C12   SING  N  N   16  
GB0  C12  C13   DOUB  N  N   17  
GB0  C13  C14   SING  N  N   18  
GB0  C13  C15   SING  N  N   19  
GB0  C1A  C2A   SING  N  N   20  
GB0  C1A  CHA   DOUB  N  N   21  
GB0  C1A  NA    SING  N  N   22  
GB0  C1B  C2B   SING  N  N   23  
GB0  C1B  CHB   SING  N  N   24  
GB0  C1C  C2C   DOUB  Y  N   25  
GB0  C1C  CHC   SING  N  N   26  
GB0  C1C  NC    SING  Y  N   27  
GB0  C1D  C2D   SING  N  N   28  
GB0  C1D  CHD   DOUB  N  N   29  
GB0  C2A  C3A   DOUB  N  N   30  
GB0  C2A  CAA   SING  N  N   31  
GB0  C2B  C3B   DOUB  N  N   32  
GB0  C2B  CMB   SING  N  N   33  
GB0  C2C  C3C   SING  Y  N   34  
GB0  C2C  CMC   SING  N  N   35  
GB0  C2D  C3D   DOUB  N  N   36  
GB0  C2D  CMD   SING  N  N   37  
GB0  C3A  C4A   SING  N  N   38  
GB0  C3A  CMA   SING  N  N   39  
GB0  C3B  C4B   SING  N  N   40  
GB0  C3B  CAB   SING  N  N   41  
GB0  C3C  C4C   DOUB  Y  N   42  
GB0  C3C  CAC   SING  N  N   43  
GB0  C3D  C4D   SING  N  N   44  
GB0  C3D  CAD   SING  N  N   45  
GB0  C4A  CHB   DOUB  N  N   46  
GB0  C4A  NA    SING  N  N   47  
GB0  C4B  CHC   DOUB  N  N   48  
GB0  C4C  CHD   SING  N  N   49  
GB0  C4C  NC    SING  Y  N   50  
GB0  C4D  CHA   SING  N  N   51  
GB0  C7   C8    DOUB  N  E   52  
GB0  C8   C9    SING  N  N   53  
GB0  CAA  CBA   SING  N  N   54  
GB0  CAB  CBB   SING  N  N   55  
GB0  CAC  CBC   SING  N  N   56  
GB0  CAD  CBD   SING  N  N   57  
GB0  CAD  OBD   DOUB  N  N   58  
GB0  CBA  CGA   SING  N  N   59  
GB0  CBD  CGD   SING  N  N   60  
GB0  CBD  CHA   SING  N  N   61  
GB0  CED  O2D   SING  N  N   62  
GB0  CGA  O1A   DOUB  N  N   63  
GB0  CGA  O2A   SING  N  N   64  
GB0  CGD  O1D   DOUB  N  N   65  
GB0  CGD  O2D   SING  N  N   66  
GB0  NA   MG    SING  N  N   67  
GB0  NC   MG    SING  N  N   68  
GB0  C1   H12   SING  N  N   69  
GB0  C1   H11   SING  N  N   70  
GB0  C2   H2    SING  N  N   71  
GB0  C4   H41   SING  N  N   72  
GB0  C4   H42   SING  N  N   73  
GB0  C4   H43   SING  N  N   74  
GB0  C5   H51   SING  N  N   75  
GB0  C5   H52   SING  N  N   76  
GB0  C6   H62   SING  N  N   77  
GB0  C6   H61   SING  N  N   78  
GB0  C10  H102  SING  N  N   79  
GB0  C10  H101  SING  N  N   80  
GB0  C11  H112  SING  N  N   81  
GB0  C11  H111  SING  N  N   82  
GB0  C12  H121  SING  N  N   83  
GB0  C14  H141  SING  N  N   84  
GB0  C14  H143  SING  N  N   85  
GB0  C14  H142  SING  N  N   86  
GB0  C15  H151  SING  N  N   87  
GB0  C15  H6    SING  N  N   88  
GB0  C15  H1    SING  N  N   89  
GB0  C7   H71   SING  N  N   90  
GB0  C9   H93   SING  N  N   91  
GB0  C9   H91   SING  N  N   92  
GB0  C9   H92   SING  N  N   93  
GB0  CAA  HAA2  SING  N  N   94  
GB0  CAA  HAA1  SING  N  N   95  
GB0  CAB  H7    SING  N  N   96  
GB0  CAB  H3    SING  N  N   97  
GB0  CAC  H4    SING  N  N   98  
GB0  CAC  H8    SING  N  N   99  
GB0  CBA  HBA1  SING  N  N  100  
GB0  CBA  HBA2  SING  N  N  101  
GB0  CBB  H5    SING  N  N  102  
GB0  CBB  HBB1  SING  N  N  103  
GB0  CBB  H9    SING  N  N  104  
GB0  CBC  HBC3  SING  N  N  105  
GB0  CBC  HBC2  SING  N  N  106  
GB0  CBC  HBC1  SING  N  N  107  
GB0  CBD  HBD   SING  N  N  108  
GB0  CED  HED2  SING  N  N  109  
GB0  CED  HED3  SING  N  N  110  
GB0  CED  HED1  SING  N  N  111  
GB0  CHB  HHB   SING  N  N  112  
GB0  CHC  HHC2  SING  N  N  113  
GB0  CHD  HHD1  SING  N  N  114  
GB0  CMA  HMA3  SING  N  N  115  
GB0  CMA  HMA1  SING  N  N  116  
GB0  CMA  HMA2  SING  N  N  117  
GB0  CMB  HMB1  SING  N  N  118  
GB0  CMB  HMB3  SING  N  N  119  
GB0  CMB  HMB2  SING  N  N  120  
GB0  CMC  HMC1  SING  N  N  121  
GB0  CMC  HMC3  SING  N  N  122  
GB0  CMC  HMC2  SING  N  N  123  
GB0  CMD  HMD3  SING  N  N  124  
GB0  CMD  HMD2  SING  N  N  125  
GB0  CMD  HMD1  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
GB0  SMILES            ACDLabs               12.01  "C(\C=C(/C)CC\C=C(\CC\C=C(/C)C)C)OC(CCC=4C5=C2C1=N7C(C(=C1C(C2C(=O)OC)=O)C)=Cc9c(c(c8C=C3N6=C(C(=C3CC)C)C=C(C=4C)N5[Mg]67n89)C)CC)=O"  
GB0  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-;/m0./s1"  
GB0  InChIKey          InChI                 1.03   LRFAKGNZCOQNAG-QUMYBLOASA-M  
GB0  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"  
GB0  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"  
GB0  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"  
GB0  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          GB0
_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
GB0  "Create component"    2017-08-11  RCSB  
GB0  "Modify name"         2017-08-16  RCSB  
GB0  "Initial release"     2017-09-06  RCSB  
GB0  "Other modification"  2020-05-27  RCSB  
##
