data_CM2
# 
_chem_comp.id                                    CM2 
_chem_comp.name                                  "CARBOXYMYCOBACTIN T" 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C35 H49 Fe N5 O12" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2004-08-30 
_chem_comp.pdbx_modified_date                    2011-06-04 
_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                        787.635 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     CM2 
_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        1X8U 
_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 
CM2 FE   FE   FE 0 0 N N N 54.200 105.926 36.616 -0.759 -1.891 1.090  FE   CM2 1   
CM2 O2   O2   O  0 1 N N N 55.378 104.361 36.862 -0.028 -0.353 1.592  O2   CM2 2   
CM2 C3   C3   C  0 1 Y N N 55.815 103.714 37.895 1.296  -0.496 1.827  C3   CM2 3   
CM2 C4   C4   C  0 1 Y N N 56.998 102.902 37.696 1.876  -1.682 2.230  C4   CM2 4   
CM2 C5   C5   C  0 1 Y N N 57.541 102.174 38.765 3.247  -1.756 2.401  C5   CM2 5   
CM2 C6   C6   C  0 1 Y N N 56.913 102.225 40.104 4.041  -0.647 2.171  C6   CM2 6   
CM2 C7   C7   C  0 1 Y N N 55.706 103.024 40.358 3.460  0.550  1.786  C7   CM2 7   
CM2 C8   C8   C  0 1 Y N N 55.165 103.766 39.248 2.098  0.633  1.632  C8   CM2 8   
CM2 C10  C10  C  0 1 N N S 53.994 104.586 39.339 1.406  1.905  1.245  C10  CM2 9   
CM2 N11  N11  N  0 1 N N N 53.420 105.494 38.608 0.186  2.091  2.120  N11  CM2 10  
CM2 C12  C12  C  0 1 N N S 52.132 106.043 39.236 -0.144 3.536  1.853  C12  CM2 11  
CM2 C13  C13  C  0 1 N N N 52.040 105.225 40.547 1.179  4.144  1.352  C13  CM2 12  
CM2 O14  O14  O  0 1 N N N 53.302 104.308 40.524 2.177  3.098  1.511  O14  CM2 13  
CM2 C15  C15  C  0 1 N N N 52.174 107.416 39.620 -1.233 3.584  0.819  C15  CM2 14  
CM2 O16  O16  O  0 1 N N N 51.228 107.840 40.391 -1.999 2.644  0.755  O16  CM2 15  
CM2 N17  N17  N  0 1 N N N 53.152 108.312 39.245 -1.384 4.621  -0.020 N17  CM2 16  
CM2 C18  C18  C  0 1 N N S 53.217 109.710 39.631 -2.414 4.625  -1.057 C18  CM2 17  
CM2 C19  C19  C  0 1 N N N 52.019 110.479 39.324 -3.670 3.932  -0.592 C19  CM2 18  
CM2 O20  O20  O  0 1 N N N 51.651 111.491 39.950 -4.094 4.110  0.525  O20  CM2 19  
CM2 O21  O21  O  0 1 N N N 51.181 110.094 38.285 -4.321 3.121  -1.442 O21  CM2 20  
CM2 C22  C22  C  0 1 N N N 50.457 111.107 37.445 -5.520 2.414  -1.029 C22  CM2 21  
CM2 C25  C25  C  0 1 N N N 49.207 110.438 37.006 -5.428 0.955  -1.477 C25  CM2 22  
CM2 C27  C27  C  0 1 N N N 49.298 109.628 35.822 -5.322 0.044  -0.284 C27  CM2 23  
CM2 O28  O28  O  0 1 N N N 48.445 109.425 34.949 -5.327 0.496  0.839  O28  CM2 24  
CM2 N29  N29  N  0 1 N N N 50.569 108.951 35.652 -5.221 -1.293 -0.469 N29  CM2 25  
CM2 C30  C30  C  0 1 N N S 50.701 107.764 34.786 -5.216 -2.199 0.666  C30  CM2 26  
CM2 C31  C31  C  0 1 N N N 51.181 108.192 33.383 -5.955 -3.509 0.341  C31  CM2 27  
CM2 C32  C32  C  0 1 N N N 50.853 107.177 32.232 -5.599 -4.025 -1.034 C32  CM2 28  
CM2 C33  C33  C  0 1 N N N 51.449 105.641 32.507 -4.171 -4.431 -1.299 C33  CM2 29  
CM2 C34  C34  C  0 1 N N N 51.061 105.076 33.902 -3.207 -3.249 -1.165 C34  CM2 30  
CM2 N35  N35  N  0 1 N N N 51.987 105.682 34.964 -2.912 -3.064 0.272  N35  CM2 31  
CM2 O36  O36  O  0 1 N N N 52.987 104.889 35.387 -1.619 -3.423 0.744  O36  CM2 32  
CM2 C37  C37  C  0 1 N N N 51.837 106.906 35.357 -3.807 -2.574 1.116  C37  CM2 33  
CM2 O38  O38  O  0 1 N N N 52.713 107.374 36.230 -3.503 -2.412 2.285  O38  CM2 34  
CM2 C39  C39  C  0 1 N N N 54.547 110.371 39.006 -1.921 3.985  -2.349 C39  CM2 35  
CM2 C40  C40  C  0 1 N N N 54.599 110.412 37.452 -0.870 2.913  -2.099 C40  CM2 36  
CM2 C41  C41  C  0 1 N N N 56.104 110.618 36.998 -1.523 1.557  -1.818 C41  CM2 37  
CM2 C42  C42  C  0 1 N N N 56.869 109.242 36.998 -0.573 0.725  -0.952 C42  CM2 38  
CM2 N43  N43  N  0 1 N N N 56.041 108.139 36.435 -0.808 -0.717 -1.196 N43  CM2 39  
CM2 O44  O44  O  0 1 N N N 55.353 107.411 37.395 -1.815 -1.088 -0.158 O44  CM2 40  
CM2 C45  C45  C  0 1 N N S 55.835 107.719 35.143 0.494  -1.362 -1.024 C45  CM2 41  
CM2 O46  O46  O  0 1 N N N 55.051 106.720 34.908 0.591  -2.390 -0.021 O46  CM2 42  
CM2 C47  C47  C  0 1 N N N 56.567 108.481 33.989 0.871  -1.968 -2.348 C47  CM2 43  
CM2 C48  C48  C  0 1 N N N 56.212 108.467 32.721 1.979  -1.603 -2.944 C48  CM2 44  
CM2 C49  C49  C  0 1 N N N 55.125 107.853 31.761 2.973  -0.733 -2.218 C49  CM2 45  
CM2 C50  C50  C  0 1 N N N 55.095 106.164 31.980 4.358  -1.380 -2.282 C50  CM2 46  
CM2 C51  C51  C  0 1 N N N 55.383 105.353 30.713 5.368  -0.497 -1.546 C51  CM2 47  
CM2 C52  C52  C  0 1 N N N 55.249 104.098 30.498 6.753  -1.143 -1.610 C52  CM2 48  
CM2 C53  C53  C  0 1 N N N 54.810 102.819 31.085 7.763  -0.260 -0.874 C53  CM2 49  
CM2 C54  C54  C  0 1 N N N 54.022 101.820 31.967 9.148  -0.907 -0.938 C54  CM2 50  
CM2 C55  C55  C  0 1 N N N 52.641 101.182 32.064 10.142 -0.037 -0.213 C55  CM2 51  
CM2 O56  O56  O  0 1 N N N 51.984 101.216 33.072 9.780  0.994  0.303  O56  CM2 52  
CM2 O57  O57  O  0 1 N N N 52.230 100.627 30.981 11.430 -0.408 -0.139 O57  CM2 53  
CM2 H4   H4   H  0 1 N N N 57.494 102.837 36.713 1.268  -2.554 2.421  H4   CM2 54  
CM2 H5   H5   H  0 1 N N N 58.443 101.574 38.557 3.698  -2.685 2.719  H5   CM2 55  
CM2 H6   H6   H  0 1 N N N 57.357 101.652 40.935 5.112  -0.710 2.295  H6   CM2 56  
CM2 H7   H7   H  0 1 N N N 55.222 103.065 41.349 4.085  1.414  1.608  H7   CM2 57  
CM2 H10  H10  H  0 1 N N N 54.502 104.895 38.396 1.111  1.884  0.199  H10  CM2 58  
CM2 H11  H11  H  0 1 N N N 53.246 105.146 37.665 0.609  2.138  3.070  H11  CM2 59  
CM2 H12  H12  H  0 1 N N N 51.294 105.964 38.504 -0.462 4.010  2.779  H12  CM2 60  
CM2 H131 1H13 H  0 0 N N N 51.079 104.674 40.673 1.102  4.419  0.301  H131 CM2 61  
CM2 H132 2H13 H  0 0 N N N 51.947 105.848 41.467 1.454  5.010  1.952  H132 CM2 62  
CM2 H17  H17  H  0 1 N N N 53.874 107.915 38.643 -0.790 5.392  0.069  H17  CM2 63  
CM2 H18  H18  H  0 1 N N N 53.271 109.742 40.744 -2.675 5.675  -1.271 H18  CM2 64  
CM2 H221 1H22 H  0 0 N N N 51.068 111.511 36.604 -5.630 2.469  0.050  H221 CM2 65  
CM2 H222 2H22 H  0 0 N N N 50.287 112.080 37.963 -6.388 2.878  -1.504 H222 CM2 66  
CM2 H251 1H25 H  0 0 N N N 48.399 111.196 36.882 -6.317 0.697  -2.054 H251 CM2 67  
CM2 H252 2H25 H  0 0 N N N 48.790 109.833 37.845 -4.545 0.828  -2.108 H252 CM2 68  
CM2 H29  H29  H  0 1 N N N 51.382 109.315 36.149 -5.180 -1.628 -1.379 H29  CM2 69  
CM2 H30  H30  H  0 1 N N N 49.722 107.232 34.735 -5.729 -1.723 1.511  H30  CM2 70  
CM2 H311 1H31 H  0 0 N N N 52.274 108.414 33.401 -5.681 -4.258 1.083  H311 CM2 71  
CM2 H312 2H31 H  0 0 N N N 50.782 109.202 33.131 -7.028 -3.329 0.393  H312 CM2 72  
CM2 H321 1H32 H  0 0 N N N 51.207 107.567 31.249 -6.232 -4.899 -1.226 H321 CM2 73  
CM2 H322 2H32 H  0 0 N N N 49.756 107.145 32.035 -5.886 -3.271 -1.770 H322 CM2 74  
CM2 H331 1H33 H  0 0 N N N 52.554 105.612 32.360 -3.881 -5.203 -0.586 H331 CM2 75  
CM2 H332 2H33 H  0 0 N N N 51.138 104.943 31.695 -4.092 -4.836 -2.309 H332 CM2 76  
CM2 H341 1H34 H  0 0 N N N 51.064 103.961 33.924 -2.277 -3.487 -1.688 H341 CM2 77  
CM2 H342 2H34 H  0 0 N N N 49.983 105.235 34.139 -3.637 -2.349 -1.584 H342 CM2 78  
CM2 H391 1H39 H  0 0 N N N 55.454 109.861 39.407 -1.488 4.763  -2.984 H391 CM2 79  
CM2 H392 2H39 H  0 0 N N N 54.699 111.394 39.422 -2.765 3.541  -2.879 H392 CM2 80  
CM2 H401 1H40 H  0 0 N N N 53.915 111.181 37.023 -0.241 3.194  -1.258 H401 CM2 81  
CM2 H402 2H40 H  0 0 N N N 54.132 109.513 36.986 -0.239 2.821  -2.989 H402 CM2 82  
CM2 H411 1H41 H  0 0 N N N 56.625 111.383 37.620 -1.710 1.037  -2.758 H411 CM2 83  
CM2 H412 2H41 H  0 0 N N N 56.174 111.132 36.011 -2.462 1.700  -1.288 H412 CM2 84  
CM2 H421 1H42 H  0 0 N N N 57.241 108.987 38.018 -0.760 0.940  0.094  H421 CM2 85  
CM2 H422 2H42 H  0 0 N N N 57.847 109.324 36.468 0.452  0.967  -1.221 H422 CM2 86  
CM2 H45  H45  H  0 1 N N N 55.440 107.013 34.376 1.217  -0.591 -0.787 H45  CM2 87  
CM2 H47  H47  H  0 1 N N N 57.462 109.120 34.083 0.228  -2.704 -2.807 H47  CM2 88  
CM2 H48  H48  H  0 1 N N N 57.023 109.132 32.380 2.180  -1.925 -3.955 H48  CM2 89  
CM2 H491 1H49 H  0 0 N N N 55.284 108.142 30.696 2.670  -0.626 -1.177 H491 CM2 90  
CM2 H492 2H49 H  0 0 N N N 54.122 108.319 31.899 3.009  0.249  -2.690 H492 CM2 91  
CM2 H501 1H50 H  0 0 N N N 54.125 105.848 32.430 4.661  -1.487 -3.324 H501 CM2 92  
CM2 H502 2H50 H  0 0 N N N 55.792 105.867 32.798 4.323  -2.362 -1.811 H502 CM2 93  
CM2 H511 1H51 H  0 0 N N N 56.443 105.582 30.455 5.065  -0.389 -0.505 H511 CM2 94  
CM2 H512 2H51 H  0 0 N N N 54.795 105.852 29.907 5.403  0.485  -2.017 H512 CM2 95  
CM2 H521 1H52 H  0 0 N N N 56.288 103.834 30.190 7.056  -1.251 -2.652 H521 CM2 96  
CM2 H522 2H52 H  0 0 N N N 54.632 104.117 29.569 6.718  -2.126 -1.139 H522 CM2 97  
CM2 H531 1H53 H  0 0 N N N 55.822 102.494 31.421 7.460  -0.153 0.168  H531 CM2 98  
CM2 H532 2H53 H  0 0 N N N 54.580 102.321 30.114 7.798  0.722  -1.345 H532 CM2 99  
CM2 H541 1H54 H  0 0 N N N 54.138 102.270 32.981 9.451  -1.015 -1.979 H541 CM2 100 
CM2 H542 2H54 H  0 0 N N N 54.687 100.925 31.948 9.112  -1.889 -0.467 H542 CM2 101 
CM2 H57  H57  H  0 1 N N N 51.369 100.229 31.042 12.068 0.150  0.326  H57  CM2 102 
# 
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 
CM2 FE  O2   SING N N 1   
CM2 FE  O36  SING N N 2   
CM2 FE  O44  SING N N 3   
CM2 FE  O46  SING N N 4   
CM2 O2  C3   SING N N 5   
CM2 C3  C4   DOUB Y N 6   
CM2 C3  C8   SING Y N 7   
CM2 C4  C5   SING Y N 8   
CM2 C4  H4   SING N N 9   
CM2 C5  C6   DOUB Y N 10  
CM2 C5  H5   SING N N 11  
CM2 C6  C7   SING Y N 12  
CM2 C6  H6   SING N N 13  
CM2 C7  C8   DOUB Y N 14  
CM2 C7  H7   SING N N 15  
CM2 C8  C10  SING N N 16  
CM2 C10 N11  SING N N 17  
CM2 C10 O14  SING N N 18  
CM2 C10 H10  SING N N 19  
CM2 N11 C12  SING N N 20  
CM2 N11 H11  SING N N 21  
CM2 C12 C13  SING N N 22  
CM2 C12 C15  SING N N 23  
CM2 C12 H12  SING N N 24  
CM2 C13 O14  SING N N 25  
CM2 C13 H131 SING N N 26  
CM2 C13 H132 SING N N 27  
CM2 C15 O16  DOUB N N 28  
CM2 C15 N17  SING N N 29  
CM2 N17 C18  SING N N 30  
CM2 N17 H17  SING N N 31  
CM2 C18 C19  SING N N 32  
CM2 C18 C39  SING N N 33  
CM2 C18 H18  SING N N 34  
CM2 C19 O20  DOUB N N 35  
CM2 C19 O21  SING N N 36  
CM2 O21 C22  SING N N 37  
CM2 C22 C25  SING N N 38  
CM2 C22 H221 SING N N 39  
CM2 C22 H222 SING N N 40  
CM2 C25 C27  SING N N 41  
CM2 C25 H251 SING N N 42  
CM2 C25 H252 SING N N 43  
CM2 C27 O28  DOUB N N 44  
CM2 C27 N29  SING N N 45  
CM2 N29 C30  SING N N 46  
CM2 N29 H29  SING N N 47  
CM2 C30 C31  SING N N 48  
CM2 C30 C37  SING N N 49  
CM2 C30 H30  SING N N 50  
CM2 C31 C32  SING N N 51  
CM2 C31 H311 SING N N 52  
CM2 C31 H312 SING N N 53  
CM2 C32 C33  SING N N 54  
CM2 C32 H321 SING N N 55  
CM2 C32 H322 SING N N 56  
CM2 C33 C34  SING N N 57  
CM2 C33 H331 SING N N 58  
CM2 C33 H332 SING N N 59  
CM2 C34 N35  SING N N 60  
CM2 C34 H341 SING N N 61  
CM2 C34 H342 SING N N 62  
CM2 N35 O36  SING N N 63  
CM2 N35 C37  SING N N 64  
CM2 C37 O38  DOUB N N 65  
CM2 C39 C40  SING N N 66  
CM2 C39 H391 SING N N 67  
CM2 C39 H392 SING N N 68  
CM2 C40 C41  SING N N 69  
CM2 C40 H401 SING N N 70  
CM2 C40 H402 SING N N 71  
CM2 C41 C42  SING N N 72  
CM2 C41 H411 SING N N 73  
CM2 C41 H412 SING N N 74  
CM2 C42 N43  SING N N 75  
CM2 C42 H421 SING N N 76  
CM2 C42 H422 SING N N 77  
CM2 N43 O44  SING N N 78  
CM2 N43 C45  SING N N 79  
CM2 C45 O46  SING N N 80  
CM2 C45 C47  SING N N 81  
CM2 C45 H45  SING N N 82  
CM2 C47 C48  DOUB N Z 83  
CM2 C47 H47  SING N N 84  
CM2 C48 C49  SING N N 85  
CM2 C48 H48  SING N N 86  
CM2 C49 C50  SING N N 87  
CM2 C49 H491 SING N N 88  
CM2 C49 H492 SING N N 89  
CM2 C50 C51  SING N N 90  
CM2 C50 H501 SING N N 91  
CM2 C50 H502 SING N N 92  
CM2 C51 C52  SING N N 93  
CM2 C51 H511 SING N N 94  
CM2 C51 H512 SING N N 95  
CM2 C52 C53  SING N N 96  
CM2 C52 H521 SING N N 97  
CM2 C52 H522 SING N N 98  
CM2 C53 C54  SING N N 99  
CM2 C53 H531 SING N N 100 
CM2 C53 H532 SING N N 101 
CM2 C54 C55  SING N N 102 
CM2 C54 H541 SING N N 103 
CM2 C54 H542 SING N N 104 
CM2 C55 O56  DOUB N N 105 
CM2 C55 O57  SING N N 106 
CM2 O57 H57  SING N N 107 
# 
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 
CM2 SMILES           ACDLabs              10.04 "O=C2N3O[Fe]54Oc1ccccc1C6OCC(C(=O)NC(C(=O)OCCC(=O)NC2CCCC3)CCCCN(O4)C(O5)\C=C/CCCCCCC(=O)O)N6" 
CM2 SMILES_CANONICAL CACTVS               3.341 "OC(=O)CCCCCC\C=C/[C@@H]1O[Fe@]23ON1CCCC[C@H](NC(=O)[C@@H]4CO[C@H](N4)c5ccccc5O2)C(=O)OCCC(=O)N[C@H]6CCCCN(O3)C6=O" 
CM2 SMILES           CACTVS               3.341 "OC(=O)CCCCCCC=C[CH]1O[Fe]23ON1CCCC[CH](NC(=O)[CH]4CO[CH](N4)c5ccccc5O2)C(=O)OCCC(=O)N[CH]6CCCCN(O3)C6=O" 
CM2 SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 "c1ccc2c(c1)C3N[C@@H](CO3)C(=O)N[C@H]4CCCCN5C(O[Fe@](O2)(O5)ON6CCCC[C@@H](C6=O)NC(=O)CCOC4=O)\C=C/CCCCCCC(=O)O" 
CM2 SMILES           "OpenEye OEToolkits" 1.5.0 "c1ccc2c(c1)C3NC(CO3)C(=O)NC4CCCCN5C(O[Fe](O2)(O5)ON6CCCCC(C6=O)NC(=O)CCOC4=O)C=CCCCCCCC(=O)O" 
CM2 InChI            InChI                1.03  
;InChI=1S/C35H50N5O12.Fe/c41-28-16-8-7-13-24(28)33-38-27(23-52-33)32(46)37-26(35(48)51-22-19-29(42)36-25-14-9-12-21-40(50)34(25)47)15-10-11-20-39(49)30(43)17-5-3-1-2-4-6-18-31(44)45;/h5,7-8,13,16-17,25-27,30,33,38,41H,1-4,6,9-12,14-15,18-23H2,(H,36,42)(H,37,46)(H,44,45);/q-3;+4/p-1/b17-5-;/t25-,26-,27-,30-,33?;/m0./s1
;
CM2 InChIKey         InChI                1.03  GJJULHJRORAZCG-SRTBGGRNSA-M 
# 
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 
CM2 "SYSTEMATIC NAME" ACDLabs 10.04 
"[(8Z,10S)-10-(hydroxy-kappaO)-10-[(hydroxy-kappaO){(5S)-6-(3-{[(3S)-1-(hydroxy-kappaO)-2-oxoazepan-3-yl]amino}-3-oxopropoxy)-5-[({(2S,4S)-2-[2-(hydroxy-kappaO)phenyl]-1,3-oxazolidin-4-yl}carbonyl)amino]-6-oxohexyl}amino]dec-8-enoato(4-)]iron" 
# 
loop_
_pdbx_chem_comp_audit.comp_id 
_pdbx_chem_comp_audit.action_type 
_pdbx_chem_comp_audit.date 
_pdbx_chem_comp_audit.processing_site 
CM2 "Create component"  2004-08-30 RCSB 
CM2 "Modify descriptor" 2011-06-04 RCSB 
# 
