data_PGK
#

_chem_comp.id                                   PGK
_chem_comp.name                                 
;(1R)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL
(9S,10S)-9,10-DIBROMOOCTADECANOATE
;

_chem_comp.type                                 NON-POLYMER
_chem_comp.pdbx_type                            HETAIN
_chem_comp.formula                              "C40 H77 Br2 O10 P"
_chem_comp.mon_nstd_parent_comp_id              ?
_chem_comp.pdbx_synonyms                        
;DIBROMINATED PHOSPHATIDYLGLYCEROL; 1-PALMITOYL-2-STEAROYL(9,10-DIBROMO)-SN-GLYCERO-3-[PHOSPHO-RAC-(1-GLYCEROL)]
(SODIUM SALT)
;

_chem_comp.pdbx_formal_charge                   0
_chem_comp.pdbx_initial_date                    2006-07-06
_chem_comp.pdbx_modified_date                   2020-06-17
_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                       908.815
_chem_comp.one_letter_code                      ?
_chem_comp.three_letter_code                    PGK
_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  N
_chem_comp.pdbx_model_coordinates_db_code       ?
_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
PGK  C48   C48   C   0  1  N  N  N  50.333  70.618  57.126  -19.643   5.152  -0.452  C48   PGK    1  
PGK  C47   C47   C   0  1  N  N  N  49.633  71.481  56.057  -18.774   3.921  -0.186  C47   PGK    2  
PGK  C46   C46   C   0  1  N  N  N  48.186  71.795  56.400  -17.297   4.309  -0.278  C46   PGK    3  
PGK  C45   C45   C   0  1  N  N  N  47.420  72.047  55.119  -16.429   3.078  -0.012  C45   PGK    4  
PGK  C44   C44   C   0  1  N  N  N  45.974  71.480  55.125  -14.952   3.466  -0.104  C44   PGK    5  
PGK  C43   C43   C   0  1  N  N  N  45.133  72.161  54.023  -14.083   2.235   0.162  C43   PGK    6  
PGK  C42   C42   C   0  1  N  N  N  43.724  71.600  53.905  -12.606   2.623   0.070  C42   PGK    7  
PGK  C41   C41   C   0  1  N  N  N  42.828  72.706  53.316  -11.738   1.391   0.336  C41   PGK    8  
PGK  C40   C40   C   0  1  N  N  S  41.314  72.469  53.478  -10.261   1.779   0.244  C40   PGK    9  
PGK  BR2   BR2   BR  0  0  N  N  N  40.791  70.991  52.349   -9.840   2.324  -1.598  BR2   PGK   10  
PGK  C39   C39   C   0  1  N  N  S  40.525  73.646  52.990   -9.393   0.580   0.632  C39   PGK   11  
PGK  BR1   BR1   BR  0  0  N  N  N  41.280  73.867  51.239   -9.756  -0.914  -0.593  BR1   PGK   12  
PGK  C38   C38   C   0  1  N  N  N  39.052  73.346  52.881   -7.916   0.968   0.540  C38   PGK   13  
PGK  C37   C37   C   0  1  N  N  N  38.199  74.596  52.612   -7.052  -0.189   1.046  C37   PGK   14  
PGK  C36   C36   C   0  1  N  N  N  36.749  74.325  53.022   -5.575   0.199   0.954  C36   PGK   15  
PGK  C35   C35   C   0  1  N  N  N  35.819  75.479  52.684   -4.711  -0.957   1.460  C35   PGK   16  
PGK  C34   C34   C   0  1  N  N  N  34.638  74.964  51.882   -3.234  -0.569   1.368  C34   PGK   17  
PGK  C33   C33   C   0  1  N  N  N  33.870  76.104  51.208   -2.371  -1.726   1.874  C33   PGK   18  
PGK  C32   C32   C   0  1  N  N  N  32.580  76.387  51.975   -0.893  -1.338   1.782  C32   PGK   19  
PGK  C31   C31   C   0  1  N  N  N  31.796  77.543  51.349   -0.043  -2.478   2.281  C31   PGK   20  
PGK  O31   O31   O   0  1  N  N  N  32.187  78.066  50.314   -0.564  -3.496   2.670  O31   PGK   21  
PGK  O2    O2    O   0  1  N  N  N  30.666  78.015  51.947    1.295  -2.362   2.293  O2    PGK   22  
PGK  C2    C2    C   0  1  N  N  R  30.526  79.399  51.732    2.114  -3.460   2.773  C2    PGK   23  
PGK  C1    C1    C   0  1  N  N  N  29.276  79.840  52.436    2.461  -4.386   1.606  C1    PGK   24  
PGK  O3P   O3P   O   0  1  N  N  N  29.566  80.070  53.808    3.280  -3.685   0.668  O3P   PGK   25  
PGK  P     P     P   0  1  N  N  S  28.582  80.973  54.753    3.605  -4.714  -0.527  P     PGK   26  
PGK  O1P   O1P   O   0  1  N  N  N  27.390  81.553  53.816    4.209  -5.944   0.032  O1P   PGK   27  
PGK  O2P   O2P   O   0  1  N  N  N  28.027  80.174  55.891    2.242  -5.088  -1.298  O2P   PGK   28  
PGK  O4P   O4P   O   0  1  N  N  N  29.614  82.203  55.150    4.635  -4.031  -1.558  O4P   PGK   29  
PGK  C4    C4    C   0  1  N  N  N  29.990  82.520  56.505    4.974  -5.027  -2.524  C4    PGK   30  
PGK  C5    C5    C   0  1  N  N  R  28.759  82.874  57.348    5.956  -4.440  -3.540  C5    PGK   31  
PGK  O5    O5    O   0  1  N  N  N  28.321  84.226  57.063    5.311  -3.401  -4.280  O5    PGK   32  
PGK  C6    C6    C   0  1  N  N  N  29.053  82.662  58.832    6.415  -5.539  -4.500  C6    PGK   33  
PGK  O6    O6    O   0  1  N  N  N  28.723  81.323  59.199    7.418  -5.019  -5.375  O6    PGK   34  
PGK  C3    C3    C   0  1  N  N  N  31.561  80.185  52.474    3.403  -2.905   3.384  C3    PGK   35  
PGK  O3    O3    O   0  1  N  N  N  31.736  81.449  51.859    4.191  -2.261   2.348  O3    PGK   36  
PGK  C11   C11   C   0  1  N  N  N  32.902  81.488  51.156    5.371  -1.699   2.655  C11   PGK   37  
PGK  O11   O11   O   0  1  N  N  N  32.957  82.114  50.084    5.776  -1.728   3.793  O11   PGK   38  
PGK  C12   C12   C   0  1  N  N  N  34.103  80.747  51.758    6.189  -1.031   1.580  C12   PGK   39  
PGK  C13   C13   C   0  1  N  N  N  35.333  80.705  50.852    7.478  -0.476   2.191  C13   PGK   40  
PGK  C14   C14   C   0  1  N  N  N  36.482  80.115  51.644    8.309   0.202   1.100  C14   PGK   41  
PGK  C15   C15   C   0  1  N  N  N  37.631  79.718  50.737    9.597   0.757   1.710  C15   PGK   42  
PGK  C16   C16   C   0  1  N  N  N  38.585  78.858  51.560   10.428   1.435   0.619  C16   PGK   43  
PGK  C17   C17   C   0  1  N  N  N  39.914  78.635  50.861   11.716   1.990   1.230  C17   PGK   44  
PGK  C18   C18   C   0  1  N  N  N  40.754  77.663  51.685   12.547   2.668   0.139  C18   PGK   45  
PGK  C19   C19   C   0  1  N  N  N  42.092  78.296  52.054   13.836   3.223   0.749  C19   PGK   46  
PGK  C20   C20   C   0  1  N  N  N  43.133  77.212  52.333   14.666   3.901  -0.342  C20   PGK   47  
PGK  C21   C21   C   0  1  N  N  N  44.063  77.601  53.474   15.955   4.456   0.269  C21   PGK   48  
PGK  C22   C22   C   0  1  N  N  N  45.040  76.467  53.684   16.786   5.134  -0.822  C22   PGK   49  
PGK  C23   C23   C   0  1  N  N  N  46.142  76.861  54.649   18.074   5.688  -0.212  C23   PGK   50  
PGK  C24   C24   C   0  1  N  N  N  47.415  77.170  53.879   18.905   6.367  -1.303  C24   PGK   51  
PGK  C25   C25   C   0  1  N  N  N  48.588  77.262  54.804   20.193   6.921  -0.692  C25   PGK   52  
PGK  C26   C26   C   0  1  N  N  N  48.360  76.446  56.082   21.024   7.599  -1.783  C26   PGK   53  
PGK  H481  1H48  H   0  0  N  N  N  49.699  70.560  58.023  -20.695   4.876  -0.387  H481  PGK   54  
PGK  H482  2H48  H   0  0  N  N  N  51.300  71.073  57.389  -19.422   5.920   0.289  H482  PGK   55  
PGK  H483  3H48  H   0  0  N  N  N  50.500  69.606  56.729  -19.430   5.538  -1.449  H483  PGK   56  
PGK  H471  1H47  H   0  0  N  N  N  49.633  70.908  55.118  -18.995   3.153  -0.928  H471  PGK   57  
PGK  H472  2H47  H   0  0  N  N  N  50.181  72.431  55.967  -18.987   3.535   0.811  H472  PGK   58  
PGK  H461  1H46  H   0  0  N  N  N  48.141  72.688  57.041  -17.076   5.077   0.463  H461  PGK   59  
PGK  H462  2H46  H   0  0  N  N  N  47.740  70.944  56.936  -17.084   4.695  -1.275  H462  PGK   60  
PGK  H451  1H45  H   0  0  N  N  N  47.963  71.531  54.314  -16.650   2.310  -0.754  H451  PGK   61  
PGK  H452  2H45  H   0  0  N  N  N  47.358  73.135  54.969  -16.641   2.692   0.985  H452  PGK   62  
PGK  H441  1H44  H   0  0  N  N  N  45.513  71.678  56.104  -14.731   4.233   0.637  H441  PGK   63  
PGK  H442  2H44  H   0  0  N  N  N  46.008  70.397  54.938  -14.739   3.852  -1.101  H442  PGK   64  
PGK  H431  1H43  H   0  0  N  N  N  45.640  71.977  53.064  -14.304   1.467  -0.580  H431  PGK   65  
PGK  H432  2H43  H   0  0  N  N  N  45.057  73.232  54.262  -14.296   1.849   1.159  H432  PGK   66  
PGK  H421  1H42  H   0  0  N  N  N  43.351  71.287  54.891  -12.385   3.390   0.811  H421  PGK   67  
PGK  H422  2H42  H   0  0  N  N  N  43.722  70.721  53.244  -12.393   3.008  -0.927  H422  PGK   68  
PGK  H411  1H41  H   0  0  N  N  N  43.027  72.725  52.234  -11.959   0.624  -0.406  H411  PGK   69  
PGK  H412  2H41  H   0  0  N  N  N  43.076  73.647  53.830  -11.951   1.005   1.333  H412  PGK   70  
PGK  H40   H40   H   0  1  N  N  N  41.119  72.286  54.545  -10.060   2.608   0.923  H40   PGK   71  
PGK  H39   H39   H   0  1  N  N  N  40.583  74.521  53.654   -9.627   0.278   1.653  H39   PGK   72  
PGK  H381  1H38  H   0  0  N  N  N  38.729  72.928  53.846   -7.734   1.852   1.151  H381  PGK   73  
PGK  H382  2H38  H   0  0  N  N  N  38.904  72.642  52.049   -7.661   1.185  -0.498  H382  PGK   74  
PGK  H371  1H37  H   0  0  N  N  N  38.236  74.841  51.540   -7.235  -1.073   0.435  H371  PGK   75  
PGK  H372  2H37  H   0  0  N  N  N  38.593  75.441  53.196   -7.307  -0.405   2.083  H372  PGK   76  
PGK  H361  1H36  H   0  0  N  N  N  36.730  74.189  54.113   -5.393   1.083   1.565  H361  PGK   77  
PGK  H362  2H36  H   0  0  N  N  N  36.399  73.429  52.489   -5.321   0.416  -0.084  H362  PGK   78  
PGK  H351  1H35  H   0  0  N  N  N  36.366  76.226  52.090   -4.894  -1.841   0.849  H351  PGK   79  
PGK  H352  2H35  H   0  0  N  N  N  35.456  75.941  53.614   -4.966  -1.174   2.498  H352  PGK   80  
PGK  H341  1H34  H   0  0  N  N  N  33.953  74.448  52.571   -3.052   0.315   1.979  H341  PGK   81  
PGK  H342  2H34  H   0  0  N  N  N  35.010  74.281  51.104   -2.980  -0.353   0.330  H342  PGK   82  
PGK  H331  1H33  H   0  0  N  N  N  33.622  75.813  50.177   -2.553  -2.610   1.263  H331  PGK   83  
PGK  H332  2H33  H   0  0  N  N  N  34.495  77.009  51.200   -2.625  -1.943   2.912  H332  PGK   84  
PGK  H321  1H32  H   0  0  N  N  N  32.845  76.667  53.005   -0.711  -0.454   2.393  H321  PGK   85  
PGK  H322  2H32  H   0  0  N  N  N  31.953  75.484  51.959   -0.639  -1.122   0.745  H322  PGK   86  
PGK  H2    H2    H   0  1  N  N  N  30.567  79.559  50.644    1.565  -4.019   3.530  H2    PGK   87  
PGK  H11   1H1   H   0  1  N  N  N  28.508  79.057  52.348    3.000  -5.256   1.981  H11   PGK   88  
PGK  H12   2H1   H   0  1  N  N  N  28.904  80.768  51.978    1.544  -4.711   1.115  H12   PGK   89  
PGK  HO2P  HO2P  H   0  0  N  N  N  27.909  79.272  55.617    1.881  -4.261  -1.645  HO2P  PGK   90  
PGK  H41   1H4   H   0  1  N  N  N  30.666  83.388  56.488    5.436  -5.878  -2.022  H41   PGK   91  
PGK  H42   2H4   H   0  1  N  N  N  30.490  81.647  56.951    4.071  -5.356  -3.039  H42   PGK   92  
PGK  H5    H5    H   0  1  N  N  N  27.931  82.201  57.079    6.819  -4.031  -3.016  H5    PGK   93  
PGK  HO5   HO5   H   0  1  N  N  N  28.225  84.707  57.877    4.554  -3.804  -4.727  HO5   PGK   94  
PGK  H61   1H6   H   0  1  N  N  N  28.450  83.363  59.428    6.827  -6.371  -3.929  H61   PGK   95  
PGK  H62   2H6   H   0  1  N  N  N  30.122  82.841  59.022    5.565  -5.887  -5.088  H62   PGK   96  
PGK  HO6   HO6   H   0  1  N  N  N  28.650  80.789  58.417    7.680  -5.742  -5.962  HO6   PGK   97  
PGK  H31   1H3   H   0  1  N  N  N  32.515  79.637  52.456    3.977  -3.720   3.824  H31   PGK   98  
PGK  H32   2H3   H   0  1  N  N  N  31.234  80.328  53.514    3.155  -2.177   4.157  H32   PGK   99  
PGK  H121  1H12  H   0  0  N  N  N  33.788  79.705  51.915    5.615  -0.215   1.140  H121  PGK  100  
PGK  H122  2H12  H   0  0  N  N  N  34.386  81.261  52.689    6.437  -1.759   0.808  H122  PGK  101  
PGK  H131  1H13  H   0  0  N  N  N  35.588  81.719  50.510    8.052  -1.292   2.631  H131  PGK  102  
PGK  H132  2H13  H   0  0  N  N  N  35.127  80.082  49.969    7.229   0.252   2.964  H132  PGK  103  
PGK  H141  1H14  H   0  0  N  N  N  36.121  79.215  52.162    7.734   1.017   0.660  H141  PGK  104  
PGK  H142  2H14  H   0  0  N  N  N  36.840  80.866  52.364    8.557  -0.526   0.327  H142  PGK  105  
PGK  H151  1H15  H   0  0  N  N  N  38.147  80.610  50.352   10.171  -0.059   2.150  H151  PGK  106  
PGK  H152  2H15  H   0  0  N  N  N  37.254  79.148  49.875    9.349   1.485   2.483  H152  PGK  107  
PGK  H161  1H16  H   0  0  N  N  N  38.112  77.876  51.705    9.854   2.250   0.179  H161  PGK  108  
PGK  H162  2H16  H   0  0  N  N  N  38.775  79.366  52.517   10.676   0.707  -0.153  H162  PGK  109  
PGK  H171  1H17  H   0  0  N  N  N  40.446  79.593  50.762   12.290   1.174   1.670  H171  PGK  110  
PGK  H172  2H17  H   0  0  N  N  N  39.738  78.214  49.860   11.468   2.717   2.003  H172  PGK  111  
PGK  H181  1H18  H   0  0  N  N  N  40.940  76.758  51.089   11.973   3.483  -0.301  H181  PGK  112  
PGK  H182  2H18  H   0  0  N  N  N  40.210  77.407  52.606   12.795   1.940  -0.634  H182  PGK  113  
PGK  H191  1H19  H   0  0  N  N  N  41.961  78.908  52.958   14.410   2.407   1.189  H191  PGK  114  
PGK  H192  2H19  H   0  0  N  N  N  42.438  78.923  51.219   13.587   3.950   1.522  H192  PGK  115  
PGK  H201  1H20  H   0  0  N  N  N  43.740  77.078  51.426   14.092   4.716  -0.782  H201  PGK  116  
PGK  H202  2H20  H   0  0  N  N  N  42.611  76.283  52.605   14.915   3.173  -1.114  H202  PGK  117  
PGK  H211  1H21  H   0  0  N  N  N  43.486  77.784  54.392   16.529   3.640   0.709  H211  PGK  118  
PGK  H212  2H21  H   0  0  N  N  N  44.606  78.523  53.219   15.707   5.183   1.042  H212  PGK  119  
PGK  H221  1H22  H   0  0  N  N  N  45.498  76.218  52.715   16.212   5.949  -1.262  H221  PGK  120  
PGK  H222  2H22  H   0  0  N  N  N  44.499  75.603  54.096   17.034   4.406  -1.595  H222  PGK  121  
PGK  H231  1H23  H   0  0  N  N  N  46.331  76.029  55.344   18.648   4.873   0.228  H231  PGK  122  
PGK  H232  2H23  H   0  0  N  N  N  45.831  77.753  55.213   17.826   6.416   0.561  H232  PGK  123  
PGK  H241  1H24  H   0  0  N  N  N  47.292  78.136  53.368   18.331   7.182  -1.743  H241  PGK  124  
PGK  H242  2H24  H   0  0  N  N  N  47.596  76.367  53.149   19.153   5.639  -2.075  H242  PGK  125  
PGK  H251  1H25  H   0  0  N  N  N  48.725  78.316  55.086   20.768   6.106  -0.252  H251  PGK  126  
PGK  H252  2H25  H   0  0  N  N  N  49.478  76.872  54.288   19.945   7.649   0.081  H252  PGK  127  
PGK  H261  1H26  H   0  0  N  N  N  47.417  76.760  56.554   21.942   7.995  -1.348  H261  PGK  128  
PGK  H262  2H26  H   0  0  N  N  N  49.194  76.616  56.779   21.273   6.872  -2.556  H262  PGK  129  
PGK  H263  3H26  H   0  0  N  N  N  48.305  75.377  55.830   20.450   8.415  -2.223  H263  PGK  130  
#   #
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
PGK  C48  C47   SING  N  N    1  
PGK  C48  H481  SING  N  N    2  
PGK  C48  H482  SING  N  N    3  
PGK  C48  H483  SING  N  N    4  
PGK  C47  C46   SING  N  N    5  
PGK  C47  H471  SING  N  N    6  
PGK  C47  H472  SING  N  N    7  
PGK  C46  C45   SING  N  N    8  
PGK  C46  H461  SING  N  N    9  
PGK  C46  H462  SING  N  N   10  
PGK  C45  C44   SING  N  N   11  
PGK  C45  H451  SING  N  N   12  
PGK  C45  H452  SING  N  N   13  
PGK  C44  C43   SING  N  N   14  
PGK  C44  H441  SING  N  N   15  
PGK  C44  H442  SING  N  N   16  
PGK  C43  C42   SING  N  N   17  
PGK  C43  H431  SING  N  N   18  
PGK  C43  H432  SING  N  N   19  
PGK  C42  C41   SING  N  N   20  
PGK  C42  H421  SING  N  N   21  
PGK  C42  H422  SING  N  N   22  
PGK  C41  C40   SING  N  N   23  
PGK  C41  H411  SING  N  N   24  
PGK  C41  H412  SING  N  N   25  
PGK  C40  BR2   SING  N  N   26  
PGK  C40  C39   SING  N  N   27  
PGK  C40  H40   SING  N  N   28  
PGK  C39  BR1   SING  N  N   29  
PGK  C39  C38   SING  N  N   30  
PGK  C39  H39   SING  N  N   31  
PGK  C38  C37   SING  N  N   32  
PGK  C38  H381  SING  N  N   33  
PGK  C38  H382  SING  N  N   34  
PGK  C37  C36   SING  N  N   35  
PGK  C37  H371  SING  N  N   36  
PGK  C37  H372  SING  N  N   37  
PGK  C36  C35   SING  N  N   38  
PGK  C36  H361  SING  N  N   39  
PGK  C36  H362  SING  N  N   40  
PGK  C35  C34   SING  N  N   41  
PGK  C35  H351  SING  N  N   42  
PGK  C35  H352  SING  N  N   43  
PGK  C34  C33   SING  N  N   44  
PGK  C34  H341  SING  N  N   45  
PGK  C34  H342  SING  N  N   46  
PGK  C33  C32   SING  N  N   47  
PGK  C33  H331  SING  N  N   48  
PGK  C33  H332  SING  N  N   49  
PGK  C32  C31   SING  N  N   50  
PGK  C32  H321  SING  N  N   51  
PGK  C32  H322  SING  N  N   52  
PGK  C31  O31   DOUB  N  N   53  
PGK  C31  O2    SING  N  N   54  
PGK  O2   C2    SING  N  N   55  
PGK  C2   C1    SING  N  N   56  
PGK  C2   C3    SING  N  N   57  
PGK  C2   H2    SING  N  N   58  
PGK  C1   O3P   SING  N  N   59  
PGK  C1   H11   SING  N  N   60  
PGK  C1   H12   SING  N  N   61  
PGK  O3P  P     SING  N  N   62  
PGK  P    O1P   DOUB  N  N   63  
PGK  P    O2P   SING  N  N   64  
PGK  P    O4P   SING  N  N   65  
PGK  O2P  HO2P  SING  N  N   66  
PGK  O4P  C4    SING  N  N   67  
PGK  C4   C5    SING  N  N   68  
PGK  C4   H41   SING  N  N   69  
PGK  C4   H42   SING  N  N   70  
PGK  C5   O5    SING  N  N   71  
PGK  C5   C6    SING  N  N   72  
PGK  C5   H5    SING  N  N   73  
PGK  O5   HO5   SING  N  N   74  
PGK  C6   O6    SING  N  N   75  
PGK  C6   H61   SING  N  N   76  
PGK  C6   H62   SING  N  N   77  
PGK  O6   HO6   SING  N  N   78  
PGK  C3   O3    SING  N  N   79  
PGK  C3   H31   SING  N  N   80  
PGK  C3   H32   SING  N  N   81  
PGK  O3   C11   SING  N  N   82  
PGK  C11  O11   DOUB  N  N   83  
PGK  C11  C12   SING  N  N   84  
PGK  C12  C13   SING  N  N   85  
PGK  C12  H121  SING  N  N   86  
PGK  C12  H122  SING  N  N   87  
PGK  C13  C14   SING  N  N   88  
PGK  C13  H131  SING  N  N   89  
PGK  C13  H132  SING  N  N   90  
PGK  C14  C15   SING  N  N   91  
PGK  C14  H141  SING  N  N   92  
PGK  C14  H142  SING  N  N   93  
PGK  C15  C16   SING  N  N   94  
PGK  C15  H151  SING  N  N   95  
PGK  C15  H152  SING  N  N   96  
PGK  C16  C17   SING  N  N   97  
PGK  C16  H161  SING  N  N   98  
PGK  C16  H162  SING  N  N   99  
PGK  C17  C18   SING  N  N  100  
PGK  C17  H171  SING  N  N  101  
PGK  C17  H172  SING  N  N  102  
PGK  C18  C19   SING  N  N  103  
PGK  C18  H181  SING  N  N  104  
PGK  C18  H182  SING  N  N  105  
PGK  C19  C20   SING  N  N  106  
PGK  C19  H191  SING  N  N  107  
PGK  C19  H192  SING  N  N  108  
PGK  C20  C21   SING  N  N  109  
PGK  C20  H201  SING  N  N  110  
PGK  C20  H202  SING  N  N  111  
PGK  C21  C22   SING  N  N  112  
PGK  C21  H211  SING  N  N  113  
PGK  C21  H212  SING  N  N  114  
PGK  C22  C23   SING  N  N  115  
PGK  C22  H221  SING  N  N  116  
PGK  C22  H222  SING  N  N  117  
PGK  C23  C24   SING  N  N  118  
PGK  C23  H231  SING  N  N  119  
PGK  C23  H232  SING  N  N  120  
PGK  C24  C25   SING  N  N  121  
PGK  C24  H241  SING  N  N  122  
PGK  C24  H242  SING  N  N  123  
PGK  C25  C26   SING  N  N  124  
PGK  C25  H251  SING  N  N  125  
PGK  C25  H252  SING  N  N  126  
PGK  C26  H261  SING  N  N  127  
PGK  C26  H262  SING  N  N  128  
PGK  C26  H263  SING  N  N  129  
#   #
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
PGK  SMILES            ACDLabs               10.04  "BrC(CCCCCCCC)C(Br)CCCCCCCC(=O)OC(COP(=O)(OCC(O)CO)O)COC(=O)CCCCCCCCCCCCCCC"  
PGK  SMILES_CANONICAL  CACTVS                3.341  "CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](O)(=O)OC[C@H](O)CO)OC(=O)CCCCCCC[C@H](Br)[C@@H](Br)CCCCCCCC"  
PGK  SMILES            CACTVS                3.341  "CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OC[CH](O)CO)OC(=O)CCCCCCC[CH](Br)[CH](Br)CCCCCCCC"  
PGK  SMILES_CANONICAL  "OpenEye OEToolkits"  1.5.0  "CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OC[C@@H](CO)O)OC(=O)CCCCCCC[C@@H]([C@H](CCCCCCCC)Br)Br"  
PGK  SMILES            "OpenEye OEToolkits"  1.5.0  "CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(CO)O)OC(=O)CCCCCCCC(C(CCCCCCCC)Br)Br"  
PGK  InChI             InChI                 1.03   "InChI=1S/C40H77Br2O10P/c1-3-5-7-9-11-12-13-14-15-16-17-21-25-29-39(45)49-33-36(34-51-53(47,48)50-32-35(44)31-43)52-40(46)30-26-22-18-20-24-28-38(42)37(41)27-23-19-10-8-6-4-2/h35-38,43-44H,3-34H2,1-2H3,(H,47,48)/t35-,36-,37+,38+/m1/s1"  
PGK  InChIKey          InChI                 1.03   SZYLEOPJERUXOZ-RNATXAOGSA-N  
#   #
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
PGK  "SYSTEMATIC NAME"  ACDLabs               10.04  "(1R)-2-{[(S)-{[(2R)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9S,10S)-9,10-dibromooctadecanoate"  
PGK  "SYSTEMATIC NAME"  "OpenEye OEToolkits"  1.5.0  "[(2R)-1-[[(2R)-2,3-dihydroxypropoxy]-hydroxy-phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (9S,10S)-9,10-dibromooctadecanoate"  
#   #
loop_
_pdbx_chem_comp_audit.comp_id
_pdbx_chem_comp_audit.action_type
_pdbx_chem_comp_audit.date
_pdbx_chem_comp_audit.processing_site
PGK  "Create component"   2006-07-06  RCSB  
PGK  "Modify descriptor"  2011-06-04  RCSB  
PGK  "Modify synonyms"    2020-06-05  PDBE  
#   #
loop_
_pdbx_chem_comp_synonyms.ordinal
_pdbx_chem_comp_synonyms.comp_id
_pdbx_chem_comp_synonyms.name
_pdbx_chem_comp_synonyms.provenance
_pdbx_chem_comp_synonyms.type
1  PGK  "DIBROMINATED PHOSPHATIDYLGLYCEROL"                                                           ?  ?  
2  PGK  "1-PALMITOYL-2-STEAROYL(9,10-DIBROMO)-SN-GLYCERO-3-[PHOSPHO-RAC-(1-GLYCEROL)] (SODIUM SALT)"  ?  ?  
##
