data_HMG
# 
_chem_comp.id                                    HMG 
_chem_comp.name                                  "3-HYDROXY-3-METHYLGLUTARYL-COENZYME A" 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAC 
_chem_comp.formula                               "C27 H39 N7 O20 P3 S" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         "(S)-HMG-COA" 
_chem_comp.pdbx_formal_charge                    -5 
_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                        906.620 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     HMG 
_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        1DQ9 
_chem_comp.pdbx_subcomponent_list                ? 
_chem_comp.pdbx_processing_site                  RCSB 
_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 
HMG P2A    P2A  P 0  1 N N N N N N 28.473 14.160 16.192 -2.024  -3.980 -0.874 P2A    HMG 1  
HMG O5A    O5A  O 0  1 N N N N N N 27.522 14.224 17.491 -2.603  -5.162 -1.684 O5A    HMG 2  
HMG O4A    O4A  O -1 1 N N N N N N 29.654 13.087 16.392 -1.067  -3.162 -1.770 O4A    HMG 3  
HMG O3A    O3A  O 0  1 N N N N N N 29.119 15.592 15.905 -3.226  -3.035 -0.369 O3A    HMG 4  
HMG O6A    O6A  O 0  1 N N N N N N 27.590 13.770 14.925 -1.215  -4.546 0.398  O6A    HMG 5  
HMG P1A    P1A  P 0  1 N N N N N N 30.464 15.777 15.042 -4.594  -2.513 -1.037 P1A    HMG 6  
HMG O1A    O1A  O 0  1 N N N N N N 31.730 15.986 16.000 -4.340  -2.156 -2.519 O1A    HMG 7  
HMG O2A    O2A  O -1 1 N N N N N N 30.298 17.066 14.096 -5.666  -3.622 -0.951 O2A    HMG 8  
HMG O5B    O5*A O 0  1 N N N N N N 30.759 14.505 14.155 -5.110  -1.206 -0.251 O5B    HMG 9  
HMG C5B    C5*A C 0  1 N N N N N N 31.379 14.768 12.921 -6.246  -0.445 -0.668 C5B    HMG 10 
HMG C4B    C4*A C 0  1 N N R N N N 31.486 13.520 12.056 -6.458  0.724  0.296  C4B    HMG 11 
HMG O4B    O4*A O 0  1 N N N N N N 30.161 13.017 11.828 -5.363  1.650  0.190  O4B    HMG 12 
HMG C3B    C3*A C 0  1 N N S N N N 32.097 13.894 10.709 -7.742  1.488  -0.081 C3B    HMG 13 
HMG O3B    O3*A O 0  1 N N N N N N 33.474 13.532 10.596 -8.672  1.469  1.003  O3B    HMG 14 
HMG C2B    C2*A C 0  1 N N R N N N 31.163 13.264 9.676  -7.258  2.933  -0.353 C2B    HMG 15 
HMG O2B    O2*A O 0  1 N N N N N N 31.624 12.029 9.134  -8.172  3.888  0.189  O2B    HMG 16 
HMG C1B    C1*A C 0  1 N N R N N N 29.835 13.147 10.434 -5.906  2.971  0.404  C1B    HMG 17 
HMG P3B    P3*A P 0  1 N N N N N N 34.530 14.731 10.433 -10.145 0.829  0.883  P3B    HMG 18 
HMG O7A    O7A  O 0  1 N N N N N N 34.068 15.655 9.200  -10.904 1.488  -0.318 O7A    HMG 19 
HMG O8A    O8A  O -1 1 N N N N N N 34.514 15.649 11.762 -10.026 -0.715 0.642  O8A    HMG 20 
HMG O9A    O9A  O -1 1 N N N N N N 36.006 14.129 10.176 -10.938 1.091  2.209  O9A    HMG 21 
HMG N9A    N9A  N 0  1 Y N N N N N 28.966 14.340 10.205 -5.022  3.990  -0.168 N9A    HMG 22 
HMG C4A    C4A  C 0  1 Y N N N N N 28.393 14.764 9.014  -4.953  5.308  0.209  C4A    HMG 23 
HMG N3A    N3A  N 0  1 Y N N N N N 28.412 14.256 7.634  -5.574  6.060  1.112  N3A    HMG 24 
HMG C2A    C2A  C 0  1 Y N N N N N 27.722 14.942 6.755  -5.279  7.336  1.240  C2A    HMG 25 
HMG N1A    N1A  N 0  1 Y N N N N N 27.010 16.035 6.964  -4.366  7.931  0.492  N1A    HMG 26 
HMG C6A    C6A  C 0  1 Y N N N N N 26.930 16.568 8.179  -3.693  7.260  -0.437 C6A    HMG 27 
HMG C5A    C5A  C 0  1 Y N N N N N 27.625 15.971 9.302  -3.973  5.893  -0.610 C5A    HMG 28 
HMG N7A    N7A  N 0  1 Y N N N N N 27.685 16.351 10.637 -3.504  4.922  -1.429 N7A    HMG 29 
HMG C8A    C8A  C 0  1 Y N N N N N 28.492 15.325 11.071 -4.115  3.802  -1.167 C8A    HMG 30 
HMG N6A    N6A  N 0  1 N N N N N N 26.205 17.667 8.338  -2.739  7.891  -1.215 N6A    HMG 31 
HMG CBP    C11P C 0  1 N N N N N N 25.306 13.440 14.161 0.393   -5.818 1.677  CBP    HMG 32 
HMG CCP    C12P C 0  1 N N N N N N 26.344 14.419 14.698 -0.155  -5.497 0.285  CCP    HMG 33 
HMG CDP    C13P C 0  1 N N N N N N 23.988 14.221 13.948 0.923   -4.537 2.324  CDP    HMG 34 
HMG CEP    C14P C 0  1 N N N N N N 25.816 12.927 12.779 -0.726  -6.401 2.543  CEP    HMG 35 
HMG CAP    C10P C 0  1 N N R N N N 25.131 12.269 15.219 1.528   -6.837 1.557  CAP    HMG 36 
HMG OAP    O10P O 0  1 N N N N N N 24.719 12.827 16.501 1.005   -8.078 1.079  OAP    HMG 37 
HMG C9P    C9P  C 0  1 N N N N N N 24.143 11.153 14.784 2.564   -6.322 0.591  C9P    HMG 38 
HMG O9P    O9P  O 0  1 N N N N N N 24.580 10.182 14.151 2.725   -6.874 -0.477 O9P    HMG 39 
HMG N8P    N8P  N 0  1 N N N N N N 22.844 11.307 15.103 3.312   -5.248 0.914  N8P    HMG 40 
HMG C7P    C7P  C 0  1 N N N N N N 21.847 10.234 14.946 4.251   -4.689 -0.062 C7P    HMG 41 
HMG C6P    C6P  C 0  1 N N N N N N 21.680 9.851  13.466 4.968   -3.485 0.552  C6P    HMG 42 
HMG C5P    C5P  C 0  1 N N N N N N 20.671 8.744  13.241 5.934   -2.910 -0.452 C5P    HMG 43 
HMG O5P    O5P  O 0  1 N N N N N N 21.000 7.575  13.488 6.038   -3.414 -1.550 O5P    HMG 44 
HMG N4P    N4P  N 0  1 N N N N N N 19.454 9.140  12.783 6.682   -1.837 -0.129 N4P    HMG 45 
HMG C3P    C3P  C 0  1 N N N N N N 18.727 8.480  11.680 7.620   -1.278 -1.105 C3P    HMG 46 
HMG C2P    C2P  C 0  1 N N N N N N 17.906 7.314  12.242 8.338   -0.074 -0.491 C2P    HMG 47 
HMG S1P    S1P  S 0  1 N N N N N N 16.566 7.888  13.365 9.498   0.617  -1.697 S1P    HMG 48 
HMG C1     C1   C 0  1 N N N N N N 15.074 6.910  12.847 10.145  1.910  -0.780 C1     HMG 49 
HMG O2     O2   O 0  1 N N N N N N 14.068 7.445  12.290 9.760   2.101  0.355  O2     HMG 50 
HMG C2     C2   C 0  1 N N N N N N 15.073 5.356  13.102 11.192  2.811  -1.383 C2     HMG 51 
HMG C3     C3   C 0  1 N N S N N N 15.053 4.877  14.593 11.713  3.773  -0.313 C3     HMG 52 
HMG O7     O7   O 0  1 N N N N N N 13.889 5.433  15.203 10.636  4.580  0.167  O7     HMG 53 
HMG C4     C4   C 0  1 N N N N N N 14.940 3.305  14.637 12.307  2.973  0.847  C4     HMG 54 
HMG C5     C5   C 0  1 N N N N N N 15.090 2.603  16.020 12.821  3.921  1.900  C5     HMG 55 
HMG O3     O3   O 0  1 N N N N N N 16.148 2.552  16.640 12.720  5.125  1.737  O3     HMG 56 
HMG O4     O4   O -1 1 N N N N N N 13.910 2.049  16.475 13.336  3.484  2.915  O4     HMG 57 
HMG C6     C6   C 0  1 N N N N N N 16.319 5.384  15.369 12.793  4.672  -0.919 C6     HMG 58 
HMG "H5'1" 1H5* H 0  0 N N N N N N 30.862 15.593 12.377 -6.076  -0.060 -1.674 "H5'1" HMG 59 
HMG "H5'2" 2H5* H 0  0 N N N N N N 32.375 15.247 13.063 -7.130  -1.082 -0.666 "H5'2" HMG 60 
HMG H4B    H4*A H 0  1 N N N N N N 32.120 12.755 12.562 -6.531  0.353  1.318  H4B    HMG 61 
HMG H3B    H3*A H 0  1 N N N N N N 32.154 14.996 10.554 -8.192  1.059  -0.976 H3B    HMG 62 
HMG "H2'"  H2*  H 0  1 N N N N N N 31.082 13.884 8.752  -7.111  3.100  -1.421 "H2'"  HMG 63 
HMG H2B    H2*A H 0  1 N N N N N N 31.043 11.637 8.492  -7.912  4.808  0.043  H2B    HMG 64 
HMG H1B    H1*A H 0  1 N N N N N N 29.259 12.263 10.071 -6.066  3.152  1.467  H1B    HMG 65 
HMG H2A1   1H2A H 0  0 N N N N N N 27.742 14.555 5.722  -5.802  7.919  1.983  H2A1   HMG 66 
HMG H8A1   1H8A H 0  0 N N N N N N 28.765 15.291 12.139 -3.931  2.864  -1.669 H8A1   HMG 67 
HMG H61A   H61A H 0  0 N N N N N N 26.143 18.076 9.270  -2.555  8.835  -1.085 H61A   HMG 68 
HMG H62A   H62A H 0  0 N N N N N N 25.262 17.496 7.987  -2.255  7.391  -1.890 H62A   HMG 69 
HMG H121   1H12 H 0  0 N N N N N N 25.980 14.942 15.613 -0.533  -6.410 -0.176 H121   HMG 70 
HMG H122   2H12 H 0  0 N N N N N N 26.457 15.304 14.030 0.642   -5.082 -0.332 H122   HMG 71 
HMG H131   1H13 H 0  0 N N N N N N 23.228 13.505 13.555 0.093   -3.859 2.522  H131   HMG 72 
HMG H132   2H13 H 0  0 N N N N N N 23.646 14.753 14.866 1.422   -4.783 3.261  H132   HMG 73 
HMG H133   3H13 H 0  0 N N N N N N 24.115 15.117 13.296 1.632   -4.056 1.650  H133   HMG 74 
HMG H141   1H14 H 0  0 N N N N N N 25.056 12.211 12.386 -1.063  -7.345 2.114  H141   HMG 75 
HMG H142   2H14 H 0  0 N N N N N N 26.044 13.753 12.065 -0.352  -6.574 3.552  H142   HMG 76 
HMG H143   3H14 H 0  0 N N N N N N 26.840 12.490 12.828 -1.560  -5.700 2.580  H143   HMG 77 
HMG H101   1H10 H 0  0 N N N N N N 26.126 11.774 15.301 1.986   -6.988 2.535  H101   HMG 78 
HMG H10    H10  H 0  1 N N N N N N 24.614 12.126 17.134 0.582   -8.018 0.211  H10    HMG 79 
HMG H8     H8   H 0  1 N N N N N N 22.615 12.233 15.462 3.229   -4.846 1.793  H8     HMG 80 
HMG H7P1   1H7P H 0  0 N N N N N N 22.094 9.347  15.575 4.984   -5.448 -0.337 H7P1   HMG 81 
HMG H7P2   2H7P H 0  0 N N N N N N 20.872 10.506 15.413 3.705   -4.372 -0.951 H7P2   HMG 82 
HMG H6P1   1H6P H 0  0 N N N N N N 21.427 10.746 12.851 4.235   -2.727 0.827  H6P1   HMG 83 
HMG H6P2   2H6P H 0  0 N N N N N N 22.663 9.587  13.012 5.514   -3.802 1.441  H6P2   HMG 84 
HMG H4     H4   H 0  1 N N N N N N 19.078 9.949  13.277 6.598   -1.434 0.750  H4     HMG 85 
HMG H3P1   1H3P H 0  0 N N N N N N 18.101 9.196  11.097 8.353   -2.036 -1.380 H3P1   HMG 86 
HMG H3P2   2H3P H 0  0 N N N N N N 19.407 8.159  10.856 7.075   -0.961 -1.994 H3P2   HMG 87 
HMG H2P1   1H2P H 0  0 N N N N N N 17.500 6.674  11.423 7.605   0.685  -0.216 H2P1   HMG 88 
HMG H2P2   2H2P H 0  0 N N N N N N 18.560 6.564  12.744 8.883   -0.391 0.398  H2P2   HMG 89 
HMG H21    1H2  H 0  1 N N N N N N 14.222 4.890  12.551 12.016  2.207  -1.761 H21    HMG 90 
HMG H22    2H2  H 0  1 N N N N N N 15.939 4.892  12.575 10.753  3.381  -2.201 H22    HMG 91 
HMG HX     HX   H 0  1 N N N N N N 13.876 5.142  16.107 9.913   4.076  0.565  HX     HMG 92 
HMG H41    1H4  H 0  1 N N N N N N 13.976 2.993  14.170 11.538  2.332  1.279  H41    HMG 93 
HMG H42    2H4  H 0  1 N N N N N N 15.672 2.864  13.921 13.129  2.357  0.481  H42    HMG 94 
HMG H61    1H6  H 0  1 N N N N N N 16.304 5.043  16.430 12.366  5.251  -1.738 H61    HMG 95 
HMG H62    2H6  H 0  1 N N N N N N 17.262 5.084  14.854 13.172  5.350  -0.154 H62    HMG 96 
HMG H63    3H6  H 0  1 N N N N N N 16.428 6.491  15.295 13.609  4.056  -1.296 H63    HMG 97 
# 
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 
HMG P2A O5A    DOUB N N 1  
HMG P2A O4A    SING N N 2  
HMG P2A O3A    SING N N 3  
HMG P2A O6A    SING N N 4  
HMG O3A P1A    SING N N 5  
HMG O6A CCP    SING N N 6  
HMG P1A O1A    DOUB N N 7  
HMG P1A O2A    SING N N 8  
HMG P1A O5B    SING N N 9  
HMG O5B C5B    SING N N 10 
HMG C5B C4B    SING N N 11 
HMG C5B "H5'1" SING N N 12 
HMG C5B "H5'2" SING N N 13 
HMG C4B O4B    SING N N 14 
HMG C4B C3B    SING N N 15 
HMG C4B H4B    SING N N 16 
HMG O4B C1B    SING N N 17 
HMG C3B O3B    SING N N 18 
HMG C3B C2B    SING N N 19 
HMG C3B H3B    SING N N 20 
HMG O3B P3B    SING N N 21 
HMG C2B O2B    SING N N 22 
HMG C2B C1B    SING N N 23 
HMG C2B "H2'"  SING N N 24 
HMG O2B H2B    SING N N 25 
HMG C1B N9A    SING N N 26 
HMG C1B H1B    SING N N 27 
HMG P3B O7A    DOUB N N 28 
HMG P3B O8A    SING N N 29 
HMG P3B O9A    SING N N 30 
HMG N9A C4A    SING Y N 31 
HMG N9A C8A    SING Y N 32 
HMG C4A N3A    SING Y N 33 
HMG C4A C5A    DOUB Y N 34 
HMG N3A C2A    DOUB Y N 35 
HMG C2A N1A    SING Y N 36 
HMG C2A H2A1   SING N N 37 
HMG N1A C6A    DOUB Y N 38 
HMG C6A C5A    SING Y N 39 
HMG C6A N6A    SING N N 40 
HMG C5A N7A    SING Y N 41 
HMG N7A C8A    DOUB Y N 42 
HMG C8A H8A1   SING N N 43 
HMG N6A H61A   SING N N 44 
HMG N6A H62A   SING N N 45 
HMG CBP CCP    SING N N 46 
HMG CBP CDP    SING N N 47 
HMG CBP CEP    SING N N 48 
HMG CBP CAP    SING N N 49 
HMG CCP H121   SING N N 50 
HMG CCP H122   SING N N 51 
HMG CDP H131   SING N N 52 
HMG CDP H132   SING N N 53 
HMG CDP H133   SING N N 54 
HMG CEP H141   SING N N 55 
HMG CEP H142   SING N N 56 
HMG CEP H143   SING N N 57 
HMG CAP OAP    SING N N 58 
HMG CAP C9P    SING N N 59 
HMG CAP H101   SING N N 60 
HMG OAP H10    SING N N 61 
HMG C9P O9P    DOUB N N 62 
HMG C9P N8P    SING N N 63 
HMG N8P C7P    SING N N 64 
HMG N8P H8     SING N N 65 
HMG C7P C6P    SING N N 66 
HMG C7P H7P1   SING N N 67 
HMG C7P H7P2   SING N N 68 
HMG C6P C5P    SING N N 69 
HMG C6P H6P1   SING N N 70 
HMG C6P H6P2   SING N N 71 
HMG C5P O5P    DOUB N N 72 
HMG C5P N4P    SING N N 73 
HMG N4P C3P    SING N N 74 
HMG N4P H4     SING N N 75 
HMG C3P C2P    SING N N 76 
HMG C3P H3P1   SING N N 77 
HMG C3P H3P2   SING N N 78 
HMG C2P S1P    SING N N 79 
HMG C2P H2P1   SING N N 80 
HMG C2P H2P2   SING N N 81 
HMG S1P C1     SING N N 82 
HMG C1  O2     DOUB N N 83 
HMG C1  C2     SING N N 84 
HMG C2  C3     SING N N 85 
HMG C2  H21    SING N N 86 
HMG C2  H22    SING N N 87 
HMG C3  O7     SING N N 88 
HMG C3  C4     SING N N 89 
HMG C3  C6     SING N N 90 
HMG O7  HX     SING N N 91 
HMG C4  C5     SING N N 92 
HMG C4  H41    SING N N 93 
HMG C4  H42    SING N N 94 
HMG C5  O3     DOUB N N 95 
HMG C5  O4     SING N N 96 
HMG C6  H61    SING N N 97 
HMG C6  H62    SING N N 98 
HMG C6  H63    SING N N 99 
# 
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 
HMG SMILES           ACDLabs              12.01 "[O-]C(=O)CC(O)(C)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP([O-])([O-])=O"                                                                                                                                                                                                                               
HMG InChI            InChI                1.03  "InChI=1S/C27H44N7O20P3S/c1-26(2,21(40)24(41)30-5-4-15(35)29-6-7-58-17(38)9-27(3,42)8-16(36)37)11-51-57(48,49)54-56(46,47)50-10-14-20(53-55(43,44)45)19(39)25(52-14)34-13-33-18-22(28)31-12-32-23(18)34/h12-14,19-21,25,39-40,42H,4-11H2,1-3H3,(H,29,35)(H,30,41)(H,36,37)(H,46,47)(H,48,49)(H2,28,31,32)(H2,43,44,45)/p-5/t14-,19-,20-,21+,25-,27+/m1/s1" 
HMG InChIKey         InChI                1.03  CABVTRNMFUVUDM-VRHQGPGLSA-I                                                                                                                                                                                                                                                                                                                                
HMG SMILES_CANONICAL CACTVS               3.385 "C[C@](O)(CC([O-])=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)CO[P]([O-])(=O)O[P]([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O[P]([O-])([O-])=O)n2cnc3c(N)ncnc23"                                                                                                                                                                                                 
HMG SMILES           CACTVS               3.385 "C[C](O)(CC([O-])=O)CC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P]([O-])(=O)O[P]([O-])(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P]([O-])([O-])=O)n2cnc3c(N)ncnc23"                                                                                                                                                                                                        
HMG SMILES_CANONICAL "OpenEye OEToolkits" 1.7.5 "C[C@](CC(=O)[O-])(CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])O)O"                                                                                                                                                                                                     
HMG SMILES           "OpenEye OEToolkits" 1.7.5 "CC(C)(COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)([O-])[O-])C(C(=O)NCCC(=O)NCCSC(=O)CC(C)(CC(=O)[O-])O)O"                                                                                                                                                                                                                               
# 
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 
HMG "SYSTEMATIC NAME" ACDLabs              12.01 "(9R,21S)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonatooxy)tetrahydrofuran-2-yl]-9,21-dihydroxy-8,8,21-trimethyl-3,5-dioxido-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphatricosan-23-oate 3,5-dioxide (non-preferred name)"                    
HMG "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.7.2 "(3S)-5-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonatooxy-oxolan-2-yl]methoxy-oxidanidyl-phosphoryl]oxy-oxidanidyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-3-methyl-3-oxidanyl-5-oxidanylidene-pentanoate" 
# 
loop_
_pdbx_chem_comp_audit.comp_id 
_pdbx_chem_comp_audit.action_type 
_pdbx_chem_comp_audit.date 
_pdbx_chem_comp_audit.processing_site 
HMG "Create component"   1999-07-08 RCSB 
HMG "Modify descriptor"  2011-06-04 RCSB 
HMG "Modify name"        2011-06-07 RCSB 
HMG "Modify descriptor"  2011-06-07 RCSB 
HMG "Modify identifier"  2011-06-07 RCSB 
HMG "Modify descriptor"  2012-01-05 RCSB 
HMG "Modify coordinates" 2012-01-05 RCSB 
HMG "Modify synonyms"    2021-03-01 PDBE 
HMG "Modify PCM"         2024-09-27 PDBE 
# 
_pdbx_chem_comp_synonyms.ordinal      1 
_pdbx_chem_comp_synonyms.comp_id      HMG 
_pdbx_chem_comp_synonyms.name         "(S)-HMG-COA" 
_pdbx_chem_comp_synonyms.provenance   ? 
_pdbx_chem_comp_synonyms.type         ? 
# 
_pdbx_chem_comp_pcm.pcm_id                             1 
_pdbx_chem_comp_pcm.comp_id                            HMG 
_pdbx_chem_comp_pcm.modified_residue_id                CYS 
_pdbx_chem_comp_pcm.type                               None 
_pdbx_chem_comp_pcm.category                           "Covalent chemical modification" 
_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               C5 
_pdbx_chem_comp_pcm.modified_residue_id_linking_atom   SG 
_pdbx_chem_comp_pcm.uniprot_specific_ptm_accession     ? 
_pdbx_chem_comp_pcm.uniprot_generic_ptm_accession      ? 
# 
