data_LMA
#

_chem_comp.id                                   LMA
_chem_comp.name                                 Lankamycin
_chem_comp.type                                 NON-POLYMER
_chem_comp.pdbx_type                            HETAIN
_chem_comp.formula                              "C43 H74 O15"
_chem_comp.mon_nstd_parent_comp_id              ?
_chem_comp.pdbx_synonyms                        
;[(2S,3R,4R,6R)-6-[[(1S,2R,3S,4S,6S,8R,9S,10S,11R,14R)-9-acetyloxy-6-hydroxy-11-[(2R,3R)-3-hydroxybutan-2-yl]-3-[(2S,3R,
4S,6R)-4-methoxy-3,6-dimethyl-oxan-2-yl]oxy-2,4,6,8,10,14-hexamethyl-7,13-dioxo-12-oxacyclotetradec-1-yl]oxy]-4-methoxy-
2,4-dimethyl-oxan-3-yl] ethanoate
;

_chem_comp.pdbx_formal_charge                   0
_chem_comp.pdbx_initial_date                    2010-12-15
_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                       831.039
_chem_comp.one_letter_code                      ?
_chem_comp.three_letter_code                    LMA
_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       3PIO
_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
LMA  C1    C1    C  0  1  N  N  N  45.175  126.963  125.618  45.175  126.963  125.618  C1    LMA    1  
LMA  O1    O1    O  0  1  N  N  N  45.499  128.137  125.640  45.499  128.137  125.640  O1    LMA    2  
LMA  C2    C2    C  0  1  N  N  R  45.872  126.104  125.369  45.872  126.104  125.369  C2    LMA    3  
LMA  O2    O2    O  0  1  N  N  N  43.885  126.541  126.056  43.885  126.541  126.056  O2    LMA    4  
LMA  C3    C3    C  0  1  N  N  S  46.315  126.377  123.822  46.315  126.377  123.822  C3    LMA    5  
LMA  O3    O3    O  0  1  N  N  N  47.716  125.901  123.547  47.716  125.901  123.547  O3    LMA    6  
LMA  C4    C4    C  0  1  N  N  R  45.357  125.621  122.848  45.357  125.621  122.848  C4    LMA    7  
LMA  O4    O4    O  0  1  N  N  N  48.983  127.470  122.158  48.983  127.470  122.158  O4    LMA    8  
LMA  C5    C5    C  0  1  N  N  S  45.616  125.955  121.314  45.616  125.955  121.314  C5    LMA    9  
LMA  O5    O5    O  0  1  N  N  N  50.390  124.550  122.708  50.390  124.550  122.708  O5    LMA   10  
LMA  C6    C6    C  0  1  N  N  S  44.478  126.939  120.740  44.478  126.939  120.740  C6    LMA   11  
LMA  C7    C7    C  0  1  N  N  N  43.170  126.360  120.866  43.170  126.360  120.866  C7    LMA   12  
LMA  O7    O7    O  0  1  N  N  N  45.610  124.746  120.450  45.610  124.746  120.450  O7    LMA   13  
LMA  C8    C8    C  0  1  N  N  S  41.964  127.248  120.490  41.964  127.248  120.490  C8    LMA   14  
LMA  C9    C9    C  0  1  N  N  N  41.526  128.123  121.503  41.526  128.123  121.503  C9    LMA   15  
LMA  O9    O9    O  0  1  N  N  N  46.993  125.581  118.725  46.993  125.581  118.725  O9    LMA   16  
LMA  C10   C10   C  0  1  N  N  R  40.950  127.592  122.823  40.950  127.592  122.823  C10   LMA   17  
LMA  C11   C11   C  0  1  N  N  S  42.007  127.818  123.953  42.007  127.818  123.953  C11   LMA   18  
LMA  O11   O11   O  0  1  N  N  N  41.692  129.327  121.355  41.692  129.327  121.355  O11   LMA   19  
LMA  C12   C12   C  0  1  N  N  S  41.673  127.228  125.380  41.673  127.228  125.380  C12   LMA   20  
LMA  O12   O12   O  0  1  N  N  N  42.266  129.231  124.148  42.266  129.231  124.148  O12   LMA   21  
LMA  C13   C13   C  0  1  N  N  R  42.735  127.590  126.286  42.735  127.590  126.286  C13   LMA   22  
LMA  C14   C14   C  0  1  N  N  R  48.716  126.955  123.486  48.716  126.955  123.486  C14   LMA   23  
LMA  C15   C15   C  0  1  N  N  N  50.031  126.467  124.141  50.031  126.467  124.141  C15   LMA   24  
LMA  C16   C16   C  0  1  N  N  R  50.981  125.641  123.201  50.981  125.641  123.201  C16   LMA   25  
LMA  C17   C17   C  0  1  N  N  R  51.280  126.477  122.106  51.280  126.477  122.106  C17   LMA   26  
LMA  O17   O17   O  0  1  N  N  N  47.507  121.572  117.181  47.507  121.572  117.181  O17   LMA   27  
LMA  C18   C18   C  0  1  N  N  S  49.988  126.760  121.311  49.988  126.760  121.311  C18   LMA   28  
LMA  C19   C19   C  0  1  N  N  N  52.120  125.278  123.890  52.120  125.278  123.890  C19   LMA   29  
LMA  C20   C20   C  0  1  N  N  N  50.234  123.399  123.528  50.234  123.399  123.528  C20   LMA   30  
LMA  C21   C21   C  0  1  N  N  N  50.182  127.610  120.080  50.182  127.610  120.080  C21   LMA   31  
LMA  C22   C22   C  0  1  N  N  S  46.751  124.466  119.634  46.751  124.466  119.634  C22   LMA   32  
LMA  C23   C23   C  0  1  N  N  R  46.525  123.180  118.841  46.525  123.180  118.841  C23   LMA   33  
LMA  C24   C24   C  0  1  N  N  S  47.728  122.879  117.914  47.728  122.879  117.914  C24   LMA   34  
LMA  C25   C25   C  0  1  N  N  N  47.893  124.113  116.990  47.893  124.113  116.990  C25   LMA   35  
LMA  C26   C26   C  0  1  N  N  R  48.126  125.374  117.829  48.126  125.374  117.829  C26   LMA   36  
LMA  C27   C27   C  0  1  N  N  N  48.250  126.585  116.957  48.250  126.585  116.957  C27   LMA   37  
LMA  C29   C29   C  0  1  N  N  N  48.048  121.530  115.829  48.048  121.530  115.829  C29   LMA   38  
LMA  C30   C30   C  0  1  N  N  N  46.682  126.105  126.115  46.682  126.105  126.115  C30   LMA   39  
LMA  C31   C31   C  0  1  N  N  N  45.425  124.101  123.123  45.425  124.101  123.123  C31   LMA   40  
LMA  C32   C32   C  0  1  N  N  N  44.723  127.317  119.437  44.723  127.317  119.437  C32   LMA   41  
LMA  C33   C33   C  0  1  N  N  N  40.885  126.434  120.100  40.885  126.434  120.100  C33   LMA   42  
LMA  C34   C34   C  0  1  N  N  N  39.592  128.298  123.068  39.592  128.298  123.068  C34   LMA   43  
LMA  C35   C35   C  0  1  N  N  N  41.468  125.886  125.346  41.468  125.886  125.346  C35   LMA   44  
LMA  C36   C36   C  0  1  N  N  R  42.351  127.499  127.787  42.351  127.499  127.787  C36   LMA   45  
LMA  C37   C37   C  0  1  N  N  N  42.341  126.041  128.222  42.341  126.041  128.222  C37   LMA   46  
LMA  C40   C40   C  0  1  N  N  N  46.279  122.075  119.712  46.279  122.075  119.712  C40   LMA   47  
LMA  C51   C51   C  0  1  N  N  N  53.008  128.107  122.064  53.008  128.107  122.064  C51   LMA   48  
LMA  O51   O51   O  0  1  N  N  N  51.804  127.662  122.564  51.804  127.662  122.564  O51   LMA   49  
LMA  O52   O52   O  0  1  N  N  N  53.510  129.306  122.489  53.510  129.306  122.489  O52   LMA   50  
LMA  C53   C53   C  0  1  N  N  N  53.894  127.158  121.333  53.894  127.158  121.333  C53   LMA   51  
LMA  O53   O53   O  0  1  N  N  N  42.299  127.943  119.502  42.299  127.943  119.502  O53   LMA   52  
LMA  C54   C54   C  0  1  N  N  N  41.271  130.046  124.683  41.271  130.046  124.683  C54   LMA   53  
LMA  O55   O55   O  0  1  N  N  N  40.207  129.470  125.347  40.207  129.470  125.347  O55   LMA   54  
LMA  C56   C56   C  0  1  N  N  N  41.519  131.517  124.826  41.519  131.517  124.826  C56   LMA   55  
LMA  C57   C57   C  0  1  N  N  R  40.980  128.094  127.991  40.980  128.094  127.991  C57   LMA   56  
LMA  O57   O57   O  0  1  N  N  N  41.035  129.041  128.986  41.035  129.041  128.986  O57   LMA   57  
LMA  C58   C58   C  0  1  N  N  N  40.026  127.018  128.382  40.026  127.018  128.382  C58   LMA   58  
LMA  H2    H2    H  0  1  N  N  N  45.443  125.092  125.424  45.443  125.092  125.424  H2    LMA   59  
LMA  H3    H3    H  0  1  N  N  N  46.263  127.464  123.663  46.263  127.464  123.663  H3    LMA   60  
LMA  H4    H4    H  0  1  N  N  N  44.337  125.980  123.050  44.337  125.980  123.050  H4    LMA   61  
LMA  H5    H5    H  0  1  N  N  N  46.610  126.424  121.284  46.610  126.424  121.284  H5    LMA   62  
LMA  H6    H6    H  0  1  N  N  N  44.511  127.850  121.356  44.511  127.850  121.356  H6    LMA   63  
LMA  H7    H7    H  0  1  N  N  N  43.142  125.483  120.202  43.142  125.483  120.202  H7    LMA   64  
LMA  H7A   H7A   H  0  1  N  N  N  43.044  126.079  121.922  43.044  126.079  121.922  H7A   LMA   65  
LMA  H10   H10   H  0  1  N  N  N  40.750  126.511  122.799  40.750  126.511  122.799  H10   LMA   66  
LMA  H11   H11   H  0  1  N  N  N  42.873  127.260  123.568  42.873  127.260  123.568  H11   LMA   67  
LMA  H12   H12   H  0  1  N  N  N  40.726  127.660  125.736  40.726  127.660  125.736  H12   LMA   68  
LMA  H13   H13   H  0  1  N  N  N  43.006  128.636  126.080  43.006  128.636  126.080  H13   LMA   69  
LMA  H14   H14   H  0  1  N  N  N  48.288  127.801  124.044  48.288  127.801  124.044  H14   LMA   70  
LMA  H15   H15   H  0  1  N  N  N  50.585  127.356  124.476  50.585  127.356  124.476  H15   LMA   71  
LMA  H15A  H15A  H  0  0  N  N  N  49.760  125.822  124.990  49.760  125.822  124.990  H15A  LMA   72  
LMA  H17   H17   H  0  1  N  N  N  52.013  125.980  121.453  52.013  125.980  121.453  H17   LMA   73  
LMA  H18   H18   H  0  1  N  N  N  49.646  125.762  121.000  49.646  125.762  121.000  H18   LMA   74  
LMA  H19   H19   H  0  1  N  N  N  52.606  126.178  124.296  52.606  126.177  124.296  H19   LMA   75  
LMA  H19A  H19A  H  0  0  N  N  N  51.849  124.604  124.716  51.849  124.604  124.716  H19A  LMA   76  
LMA  H19B  H19B  H  0  0  N  N  N  52.813  124.763  123.208  52.813  124.763  123.208  H19B  LMA   77  
LMA  H20   H20   H  0  1  N  N  N  49.730  122.606  122.956  49.730  122.606  122.956  H20   LMA   78  
LMA  H20A  H20A  H  0  0  N  N  N  51.223  123.044  123.853  51.223  123.044  123.853  H20A  LMA   79  
LMA  H20B  H20B  H  0  0  N  N  N  49.628  123.656  124.410  49.629  123.656  124.410  H20B  LMA   80  
LMA  H21   H21   H  0  1  N  N  N  50.917  127.132  119.416  50.917  127.132  119.416  H21   LMA   81  
LMA  H21A  H21A  H  0  0  N  N  N  49.223  127.713  119.551  49.223  127.713  119.551  H21A  LMA   82  
LMA  H21B  H21B  H  0  0  N  N  N  50.547  128.605  120.375  50.547  128.605  120.375  H21B  LMA   83  
LMA  H22   H22   H  0  1  N  N  N  47.631  124.332  120.280  47.632  124.332  120.280  H22   LMA   84  
LMA  H23   H23   H  0  1  N  N  N  45.634  123.329  118.213  45.634  123.329  118.214  H23   LMA   85  
LMA  H24   H24   H  0  1  N  N  N  48.667  122.732  118.467  48.667  122.732  118.467  H24   LMA   86  
LMA  H25   H25   H  0  1  N  N  N  48.755  123.955  116.325  48.755  123.955  116.325  H25   LMA   87  
LMA  H25A  H25A  H  0  0  N  N  N  46.980  124.241  116.389  46.980  124.241  116.390  H25A  LMA   88  
LMA  H26   H26   H  0  1  N  N  N  49.057  125.233  118.397  49.057  125.233  118.397  H26   LMA   89  
LMA  H27   H27   H  0  1  N  N  N  49.099  126.457  116.269  49.099  126.457  116.269  H27   LMA   90  
LMA  H27A  H27A  H  0  0  N  N  N  47.324  126.715  116.377  47.325  126.715  116.377  H27A  LMA   91  
LMA  H27B  H27B  H  0  0  N  N  N  48.418  127.473  117.584  48.418  127.473  117.584  H27B  LMA   92  
LMA  H29   H29   H  0  1  N  N  N  47.840  120.547  115.380  47.840  120.548  115.381  H29   LMA   93  
LMA  H29A  H29A  H  0  0  N  N  N  47.578  122.317  115.222  47.578  122.317  115.221  H29A  LMA   94  
LMA  H29B  H29B  H  0  0  N  N  N  49.135  121.694  115.864  49.135  121.694  115.864  H29B  LMA   95  
LMA  H30   H30   H  0  1  N  N  N  47.379  125.281  125.902  47.379  125.281  125.902  H30   LMA   96  
LMA  H30A  H30A  H  0  0  N  N  N  47.222  127.062  126.069  47.222  127.062  126.069  H30A  LMA   97  
LMA  H30B  H30B  H  0  0  N  N  N  46.255  125.973  127.120  46.255  125.973  127.120  H30B  LMA   98  
LMA  H31   H31   H  0  1  N  N  N  44.749  123.573  122.435  44.749  123.573  122.435  H31   LMA   99  
LMA  H31A  H31A  H  0  0  N  N  N  46.455  123.746  122.969  46.455  123.746  122.969  H31A  LMA  100  
LMA  H31B  H31B  H  0  0  N  N  N  45.120  123.902  124.161  45.120  123.902  124.161  H31B  LMA  101  
LMA  H32   H32   H  0  1  N  N  N  43.921  127.986  119.092  43.921  127.986  119.092  H32   LMA  102  
LMA  H32A  H32A  H  0  0  N  N  N  45.688  127.843  119.383  45.688  127.843  119.383  H32A  LMA  103  
LMA  H32B  H32B  H  0  0  N  N  N  44.756  126.424  118.796  44.756  126.424  118.796  H32B  LMA  104  
LMA  H33   H33   H  0  1  N  N  N  40.026  127.067  119.832  40.026  127.067  119.832  H33   LMA  105  
LMA  H33A  H33A  H  0  0  N  N  N  41.179  125.828  119.231  41.179  125.828  119.230  H33A  LMA  106  
LMA  H33B  H33B  H  0  0  N  N  N  40.607  125.771  120.932  40.606  125.771  120.932  H33B  LMA  107  
LMA  H34   H34   H  0  1  N  N  N  39.155  127.936  124.010  39.155  127.936  124.010  H34   LMA  108  
LMA  H34A  H34A  H  0  0  N  N  N  39.750  129.385  123.131  39.750  129.385  123.131  H34A  LMA  109  
LMA  H34B  H34B  H  0  0  N  N  N  38.907  128.075  122.236  38.908  128.075  122.236  H34B  LMA  110  
LMA  H35   H35   H  0  1  N  N  N  41.240  125.524  126.359  41.240  125.524  126.359  H35   LMA  111  
LMA  H35A  H35A  H  0  0  N  N  N  40.624  125.661  124.677  40.624  125.661  124.677  H35A  LMA  112  
LMA  H35B  H35B  H  0  0  N  N  N  42.374  125.386  124.974  42.374  125.386  124.974  H35B  LMA  113  
LMA  H36   H36   H  0  1  N  N  N  43.086  128.055  128.388  43.086  128.055  128.388  H36   LMA  114  
LMA  H37   H37   H  0  1  N  N  N  42.069  125.977  129.286  42.069  125.977  129.286  H37   LMA  115  
LMA  H37A  H37A  H  0  0  N  N  N  41.606  125.484  127.622  41.606  125.484  127.622  H37A  LMA  116  
LMA  H37B  H37B  H  0  0  N  N  N  43.341  125.607  128.073  43.341  125.607  128.073  H37B  LMA  117  
LMA  H40   H40   H  0  1  N  N  N  46.120  121.165  119.115  46.120  121.165  119.115  H40   LMA  118  
LMA  H40A  H40A  H  0  0  N  N  N  47.145  121.932  120.376  47.145  121.932  120.376  H40A  LMA  119  
LMA  H40B  H40B  H  0  0  N  N  N  45.383  122.277  120.317  45.383  122.277  120.317  H40B  LMA  120  
LMA  H53   H53   H  0  1  N  N  N  54.899  127.595  121.235  54.899  127.595  121.235  H53   LMA  121  
LMA  H53A  H53A  H  0  0  N  N  N  53.958  126.212  121.891  53.958  126.213  121.891  H53A  LMA  122  
LMA  H53B  H53B  H  0  0  N  N  N  53.479  126.966  120.333  53.479  126.966  120.333  H53B  LMA  123  
LMA  HO53  HO53  H  0  0  N  N  N  42.232  128.864  119.725  42.232  128.864  119.725  HO53  LMA  124  
LMA  H56   H56   H  0  1  N  N  N  40.759  131.955  125.490  40.759  131.955  125.490  H56   LMA  125  
LMA  H56A  H56A  H  0  0  N  N  N  42.518  131.680  125.256  42.518  131.680  125.256  H56A  LMA  126  
LMA  H56B  H56B  H  0  0  N  N  N  41.462  131.996  123.837  41.462  131.996  123.837  H56B  LMA  127  
LMA  H57   H57   H  0  1  N  N  N  40.641  128.564  127.056  40.641  128.564  127.056  H57   LMA  128  
LMA  HO57  HO57  H  0  0  N  N  N  40.172  129.416  129.115  40.172  129.416  129.115  HO57  LMA  129  
LMA  H58   H58   H  0  1  N  N  N  39.026  127.451  128.531  39.026  127.451  128.531  H58   LMA  130  
LMA  H58A  H58A  H  0  0  N  N  N  39.983  126.260  127.586  39.982  126.260  127.586  H58A  LMA  131  
LMA  H58B  H58B  H  0  0  N  N  N  40.366  126.549  129.317  40.366  126.549  129.317  H58B  LMA  132  
#   #
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
LMA  C2   C1    SING  N  N    1  
LMA  C1   O1    DOUB  N  N    2  
LMA  C1   O2    SING  N  N    3  
LMA  C3   C2    SING  N  N    4  
LMA  C2   C30   SING  N  N    5  
LMA  C2   H2    SING  N  N    6  
LMA  O2   C13   SING  N  N    7  
LMA  C4   C3    SING  N  N    8  
LMA  O3   C3    SING  N  N    9  
LMA  C3   H3    SING  N  N   10  
LMA  C14  O3    SING  N  N   11  
LMA  C5   C4    SING  N  N   12  
LMA  C4   C31   SING  N  N   13  
LMA  C4   H4    SING  N  N   14  
LMA  C18  O4    SING  N  N   15  
LMA  O4   C14   SING  N  N   16  
LMA  O7   C5    SING  N  N   17  
LMA  C6   C5    SING  N  N   18  
LMA  C5   H5    SING  N  N   19  
LMA  O5   C16   SING  N  N   20  
LMA  O5   C20   SING  N  N   21  
LMA  C32  C6    SING  N  N   22  
LMA  C6   C7    SING  N  N   23  
LMA  C6   H6    SING  N  N   24  
LMA  C8   C7    SING  N  N   25  
LMA  C7   H7    SING  N  N   26  
LMA  C7   H7A   SING  N  N   27  
LMA  C22  O7    SING  N  N   28  
LMA  O53  C8    SING  N  N   29  
LMA  C33  C8    SING  N  N   30  
LMA  C8   C9    SING  N  N   31  
LMA  O11  C9    DOUB  N  N   32  
LMA  C9   C10   SING  N  N   33  
LMA  C26  O9    SING  N  N   34  
LMA  O9   C22   SING  N  N   35  
LMA  C10  C34   SING  N  N   36  
LMA  C10  C11   SING  N  N   37  
LMA  C10  H10   SING  N  N   38  
LMA  C11  O12   SING  N  N   39  
LMA  C11  C12   SING  N  N   40  
LMA  C11  H11   SING  N  N   41  
LMA  C35  C12   SING  N  N   42  
LMA  C12  C13   SING  N  N   43  
LMA  C12  H12   SING  N  N   44  
LMA  O12  C54   SING  N  N   45  
LMA  C13  C36   SING  N  N   46  
LMA  C13  H13   SING  N  N   47  
LMA  C14  C15   SING  N  N   48  
LMA  C14  H14   SING  N  N   49  
LMA  C16  C15   SING  N  N   50  
LMA  C15  H15   SING  N  N   51  
LMA  C15  H15A  SING  N  N   52  
LMA  C17  C16   SING  N  N   53  
LMA  C16  C19   SING  N  N   54  
LMA  C18  C17   SING  N  N   55  
LMA  C17  O51   SING  N  N   56  
LMA  C17  H17   SING  N  N   57  
LMA  C29  O17   SING  N  N   58  
LMA  O17  C24   SING  N  N   59  
LMA  C21  C18   SING  N  N   60  
LMA  C18  H18   SING  N  N   61  
LMA  C19  H19   SING  N  N   62  
LMA  C19  H19A  SING  N  N   63  
LMA  C19  H19B  SING  N  N   64  
LMA  C20  H20   SING  N  N   65  
LMA  C20  H20A  SING  N  N   66  
LMA  C20  H20B  SING  N  N   67  
LMA  C21  H21   SING  N  N   68  
LMA  C21  H21A  SING  N  N   69  
LMA  C21  H21B  SING  N  N   70  
LMA  C23  C22   SING  N  N   71  
LMA  C22  H22   SING  N  N   72  
LMA  C24  C23   SING  N  N   73  
LMA  C23  C40   SING  N  N   74  
LMA  C23  H23   SING  N  N   75  
LMA  C25  C24   SING  N  N   76  
LMA  C24  H24   SING  N  N   77  
LMA  C25  C26   SING  N  N   78  
LMA  C25  H25   SING  N  N   79  
LMA  C25  H25A  SING  N  N   80  
LMA  C27  C26   SING  N  N   81  
LMA  C26  H26   SING  N  N   82  
LMA  C27  H27   SING  N  N   83  
LMA  C27  H27A  SING  N  N   84  
LMA  C27  H27B  SING  N  N   85  
LMA  C29  H29   SING  N  N   86  
LMA  C29  H29A  SING  N  N   87  
LMA  C29  H29B  SING  N  N   88  
LMA  C30  H30   SING  N  N   89  
LMA  C30  H30A  SING  N  N   90  
LMA  C30  H30B  SING  N  N   91  
LMA  C31  H31   SING  N  N   92  
LMA  C31  H31A  SING  N  N   93  
LMA  C31  H31B  SING  N  N   94  
LMA  C32  H32   SING  N  N   95  
LMA  C32  H32A  SING  N  N   96  
LMA  C32  H32B  SING  N  N   97  
LMA  C33  H33   SING  N  N   98  
LMA  C33  H33A  SING  N  N   99  
LMA  C33  H33B  SING  N  N  100  
LMA  C34  H34   SING  N  N  101  
LMA  C34  H34A  SING  N  N  102  
LMA  C34  H34B  SING  N  N  103  
LMA  C35  H35   SING  N  N  104  
LMA  C35  H35A  SING  N  N  105  
LMA  C35  H35B  SING  N  N  106  
LMA  C36  C57   SING  N  N  107  
LMA  C36  C37   SING  N  N  108  
LMA  C36  H36   SING  N  N  109  
LMA  C37  H37   SING  N  N  110  
LMA  C37  H37A  SING  N  N  111  
LMA  C37  H37B  SING  N  N  112  
LMA  C40  H40   SING  N  N  113  
LMA  C40  H40A  SING  N  N  114  
LMA  C40  H40B  SING  N  N  115  
LMA  C53  C51   SING  N  N  116  
LMA  C51  O52   DOUB  N  N  117  
LMA  C51  O51   SING  N  N  118  
LMA  C53  H53   SING  N  N  119  
LMA  C53  H53A  SING  N  N  120  
LMA  C53  H53B  SING  N  N  121  
LMA  O53  HO53  SING  N  N  122  
LMA  C54  C56   SING  N  N  123  
LMA  C54  O55   DOUB  N  N  124  
LMA  C56  H56   SING  N  N  125  
LMA  C56  H56A  SING  N  N  126  
LMA  C56  H56B  SING  N  N  127  
LMA  C57  C58   SING  N  N  128  
LMA  C57  O57   SING  N  N  129  
LMA  C57  H57   SING  N  N  130  
LMA  O57  HO57  SING  N  N  131  
LMA  C58  H58   SING  N  N  132  
LMA  C58  H58A  SING  N  N  133  
LMA  C58  H58B  SING  N  N  134  
#   #
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
LMA  SMILES            ACDLabs               12.01  "O=C3OC(C(C)C(O)C)C(C)C(OC(=O)C)C(C(=O)C(O)(C)CC(C)C(OC1OC(C)CC(OC)C1C)C(C(OC2OC(C(OC(=O)C)C(OC)(C2)C)C)C3C)C)C"  
LMA  SMILES_CANONICAL  CACTVS                3.370  "CO[C@H]1C[C@@H](C)O[C@@H](O[C@H]2[C@@H](C)C[C@](C)(O)C(=O)[C@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@H](OC(=O)[C@H](C)[C@@H](O[C@H]3C[C@@](C)(OC)[C@H](OC(C)=O)[C@H](C)O3)[C@@H]2C)[C@H](C)[C@@H](C)O)[C@@H]1C"  
LMA  SMILES            CACTVS                3.370  "CO[CH]1C[CH](C)O[CH](O[CH]2[CH](C)C[C](C)(O)C(=O)[CH](C)[CH](OC(C)=O)[CH](C)[CH](OC(=O)[CH](C)[CH](O[CH]3C[C](C)(OC)[CH](OC(C)=O)[CH](C)O3)[CH]2C)[CH](C)[CH](C)O)[CH]1C"  
LMA  SMILES_CANONICAL  "OpenEye OEToolkits"  1.7.0  "C[C@@H]1C[C@@H]([C@H]([C@@H](O1)O[C@H]2[C@H](C[C@](C(=O)[C@@H]([C@H]([C@H]([C@H](OC(=O)[C@@H]([C@H]([C@@H]2C)O[C@H]3C[C@@]([C@@H]([C@@H](O3)C)OC(=O)C)(C)OC)C)[C@H](C)[C@@H](C)O)C)OC(=O)C)C)(C)O)C)C)OC"  
LMA  SMILES            "OpenEye OEToolkits"  1.7.0  "CC1CC(C(C(O1)OC2C(CC(C(=O)C(C(C(C(OC(=O)C(C(C2C)OC3CC(C(C(O3)C)OC(=O)C)(C)OC)C)C(C)C(C)O)C)OC(=O)C)C)(C)O)C)C)OC"  
LMA  InChI             InChI                 1.03   "InChI=1S/C43H74O15/c1-20-18-42(13,49)38(47)26(7)36(54-30(11)45)25(6)35(22(3)28(9)44)57-40(48)27(8)37(24(5)34(20)58-41-23(4)32(50-15)17-21(2)52-41)56-33-19-43(14,51-16)39(29(10)53-33)55-31(12)46/h20-29,32-37,39,41,44,49H,17-19H2,1-16H3/t20-,21+,22+,23+,24+,25-,26+,27+,28+,29-,32-,33-,34-,35+,36-,37-,39+,41-,42-,43+/m0/s1"  
LMA  InChIKey          InChI                 1.03   FIYJFVCGASKYLV-QDYGBMDYSA-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
LMA  "SYSTEMATIC NAME"  ACDLabs               12.01  "(2S,3R,4R,6R)-6-{[(3R,4S,5R,6S,7S,9S,11R,12S,13S,14R)-12-(acetyloxy)-9-hydroxy-14-[(2R,3R)-3-hydroxybutan-2-yl]-6-{[(2S,3R,4S,6R)-4-methoxy-3,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-3,5,7,9,11,13-hexamethyl-2,10-dioxooxacyclotetradecan-4-yl]oxy}-4-methoxy-2,4-dimethyltetrahydro-2H-pyran-3-yl acetate (non-preferred name)"  
LMA  "SYSTEMATIC NAME"  "OpenEye OEToolkits"  1.7.0  "[(2S,3R,4R,6R)-6-[[(1S,2R,3S,4S,6S,8R,9S,10S,11R,14R)-9-acetyloxy-6-hydroxy-11-[(2R,3R)-3-hydroxybutan-2-yl]-3-[(2S,3R,4S,6R)-4-methoxy-3,6-dimethyl-oxan-2-yl]oxy-2,4,6,8,10,14-hexamethyl-7,13-dioxo-12-oxacyclotetradec-1-yl]oxy]-4-methoxy-2,4-dimethyl-oxan-3-yl] ethanoate"  
#   #
loop_
_pdbx_chem_comp_audit.comp_id
_pdbx_chem_comp_audit.action_type
_pdbx_chem_comp_audit.date
_pdbx_chem_comp_audit.processing_site
LMA  "Create component"   2010-12-15  RCSB  
LMA  "Modify descriptor"  2011-06-04  RCSB  
LMA  "Modify synonyms"    2020-06-05  PDBE  
#
_pdbx_chem_comp_synonyms.ordinal     1
_pdbx_chem_comp_synonyms.comp_id     LMA
_pdbx_chem_comp_synonyms.name        "[(2S,3R,4R,6R)-6-[[(1S,2R,3S,4S,6S,8R,9S,10S,11R,14R)-9-acetyloxy-6-hydroxy-11-[(2R,3R)-3-hydroxybutan-2-yl]-3-[(2S,3R,4S,6R)-4-methoxy-3,6-dimethyl-oxan-2-yl]oxy-2,4,6,8,10,14-hexamethyl-7,13-dioxo-12-oxacyclotetradec-1-yl]oxy]-4-methoxy-2,4-dimethyl-oxan-3-yl] ethanoate"
_pdbx_chem_comp_synonyms.provenance  ?
_pdbx_chem_comp_synonyms.type        ?
##
