data_A1LZM
# 
_chem_comp.id                                    A1LZM 
_chem_comp.name                                  "Trans-Geranyl Bacteriochlorophyll B" 
_chem_comp.type                                  non-polymer 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C55 H70 Mg N4 O6" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2024-03-26 
_chem_comp.pdbx_modified_date                    2024-05-17 
_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                        907.472 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     A1LZM 
_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        8K5O 
_chem_comp.pdbx_subcomponent_list                ? 
_chem_comp.pdbx_processing_site                  PDBJ 
# 
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_n_terminal_atom_flag 
_chem_comp_atom.pdbx_backbone_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 
A1LZM C1  C1  C  0 1 N N N N N N 185.934 228.992 199.789 ? ? ? C1  A1LZM 1   
A1LZM C2  C2  C  0 1 N N N N N N 184.729 229.500 200.543 ? ? ? C2  A1LZM 2   
A1LZM C4  C3  C  0 1 N N N N N N 186.042 229.471 202.622 ? ? ? C4  A1LZM 3   
A1LZM C6  C4  C  0 1 N N N N N N 183.636 229.999 204.076 ? ? ? C6  A1LZM 4   
A1LZM C12 C5  C  0 1 N N N N N N 178.881 227.835 206.994 ? ? ? C12 A1LZM 5   
A1LZM C13 C6  C  0 1 N N N N N N 177.699 228.355 207.343 ? ? ? C13 A1LZM 6   
A1LZM C14 C7  C  0 1 N N N N N N 177.471 229.831 207.216 ? ? ? C14 A1LZM 7   
A1LZM C16 C8  C  0 1 N N N N N N 175.345 228.264 208.154 ? ? ? C16 A1LZM 8   
A1LZM C17 C9  C  0 1 N N N N N N 174.207 227.806 207.256 ? ? ? C17 A1LZM 9   
A1LZM C18 C10 C  0 1 N N N N N N 172.860 228.038 207.920 ? ? ? C18 A1LZM 10  
A1LZM C3  C11 C  0 1 N N N N N N 184.774 229.719 201.864 ? ? ? C3  A1LZM 11  
A1LZM C5  C12 C  0 1 N N N N N N 183.542 230.228 202.573 ? ? ? C5  A1LZM 12  
A1LZM C15 C13 C  0 1 N N N N N N 176.605 227.460 207.866 ? ? ? C15 A1LZM 13  
A1LZM C8  C14 C  0 1 N N S N N N 182.413 228.971 206.040 ? ? ? C8  A1LZM 14  
A1LZM NB  N1  N  0 1 Y N N N N N 178.169 227.904 199.529 ? ? ? NB  A1LZM 15  
A1LZM ND  N2  N  0 1 N N S N N N 178.186 227.579 195.490 ? ? ? ND  A1LZM 16  
A1LZM C10 C15 C  0 1 N N N N N N 181.274 228.002 206.332 ? ? ? C10 A1LZM 17  
A1LZM C11 C16 C  0 1 N N N N N N 179.960 228.753 206.475 ? ? ? C11 A1LZM 18  
A1LZM C19 C17 C  0 1 N N N N N N 171.755 227.423 207.077 ? ? ? C19 A1LZM 19  
A1LZM C1A C18 C  0 1 N N N N N N 181.094 227.822 196.582 ? ? ? C1A A1LZM 20  
A1LZM C1B C19 C  0 1 Y N N N N N 179.175 227.707 200.393 ? ? ? C1B A1LZM 21  
A1LZM C1C C20 C  0 1 N N N N N N 175.485 228.170 198.493 ? ? ? C1C A1LZM 22  
A1LZM C1D C21 C  0 1 N N N N N N 177.256 227.441 194.540 ? ? ? C1D A1LZM 23  
A1LZM C20 C22 C  0 1 N N N N N N 172.601 229.518 208.151 ? ? ? C20 A1LZM 24  
A1LZM C2A C23 C  0 1 N N S N N N 182.535 227.976 196.997 ? ? ? C2A A1LZM 25  
A1LZM C2B C24 C  0 1 Y N N N N N 178.838 227.717 201.837 ? ? ? C2B A1LZM 26  
A1LZM C2C C25 C  0 1 N N S N N N 174.065 228.075 198.068 ? ? ? C2C A1LZM 27  
A1LZM C2D C26 C  0 1 N N N N N N 177.801 227.182 193.179 ? ? ? C2D A1LZM 28  
A1LZM C3A C27 C  0 1 N N R N N N 182.440 227.771 198.483 ? ? ? C3A A1LZM 29  
A1LZM C3B C28 C  0 1 Y N N N N N 177.392 227.994 201.774 ? ? ? C3B A1LZM 30  
A1LZM C3C C29 C  0 1 N N N N N N 174.081 227.835 196.631 ? ? ? C3C A1LZM 31  
A1LZM C3D C30 C  0 1 N N N N N N 179.234 227.246 193.483 ? ? ? C3D A1LZM 32  
A1LZM C4A C31 C  0 1 N N N N N N 180.973 227.703 198.687 ? ? ? C4A A1LZM 33  
A1LZM C4B C32 C  0 1 Y N N N N N 177.113 228.103 200.326 ? ? ? C4B A1LZM 34  
A1LZM C4C C33 C  0 1 N N N N N N 175.537 227.778 196.327 ? ? ? C4C A1LZM 35  
A1LZM C4D C34 C  0 1 N N N N N N 179.354 227.491 194.790 ? ? ? C4D A1LZM 36  
A1LZM C7  C35 C  0 1 N N N N N N 182.306 229.476 204.607 ? ? ? C7  A1LZM 37  
A1LZM C9  C36 C  0 1 N N N N N N 183.757 228.306 206.277 ? ? ? C9  A1LZM 38  
A1LZM CAA C37 C  0 1 N N N N N N 183.069 229.357 196.679 ? ? ? CAA A1LZM 39  
A1LZM CAB C38 C  0 1 N N N N N N 176.390 228.156 202.872 ? ? ? CAB A1LZM 40  
A1LZM CAC C39 C  0 1 N N N N N N 172.992 227.663 195.647 ? ? ? CAC A1LZM 41  
A1LZM CAD C40 C  0 1 N N N N N N 180.574 227.126 192.872 ? ? ? CAD A1LZM 42  
A1LZM CBA C41 C  0 1 N N N N N N 184.543 229.349 196.288 ? ? ? CBA A1LZM 43  
A1LZM CBB C42 C  0 1 N N N N N N 176.616 227.460 204.174 ? ? ? CBB A1LZM 44  
A1LZM CBC C43 C  0 1 N N N N N N 171.548 227.735 196.053 ? ? ? CBC A1LZM 45  
A1LZM CBD C44 C  0 1 N N R N N N 181.588 227.373 193.947 ? ? ? CBD A1LZM 46  
A1LZM CED C45 C  0 1 N N N N N N 185.004 225.733 193.703 ? ? ? CED A1LZM 47  
A1LZM CGA C46 C  0 1 N N N N N N 185.413 228.716 197.348 ? ? ? CGA A1LZM 48  
A1LZM CGD C47 C  0 1 N N N N N N 182.641 226.323 194.034 ? ? ? CGD A1LZM 49  
A1LZM CHA C48 C  0 1 N N N N N N 180.742 227.561 195.172 ? ? ? CHA A1LZM 50  
A1LZM CHB C49 C  0 1 N N N N N N 180.530 227.460 199.910 ? ? ? CHB A1LZM 51  
A1LZM CHC C50 C  0 1 N N N N N N 175.807 228.393 199.753 ? ? ? CHC A1LZM 52  
A1LZM CHD C51 C  0 1 N N N N N N 175.874 227.510 194.938 ? ? ? CHD A1LZM 53  
A1LZM CMA C52 C  0 1 N N N N N N 183.064 226.453 198.900 ? ? ? CMA A1LZM 54  
A1LZM CMB C53 C  0 1 N N N N N N 179.775 227.495 202.990 ? ? ? CMB A1LZM 55  
A1LZM CMC C54 C  0 1 N N N N N N 173.470 226.878 198.801 ? ? ? CMC A1LZM 56  
A1LZM CMD C55 C  0 1 N N N N N N 177.239 226.914 191.821 ? ? ? CMD A1LZM 57  
A1LZM NA  N3  N  0 1 N N N N N N 180.262 227.841 197.560 ? ? ? NA  A1LZM 58  
A1LZM NC  N4  N  0 1 N N N N N N 176.267 227.979 197.398 ? ? ? NC  A1LZM 59  
A1LZM O1A O1  O  0 1 N N N N N N 185.704 227.536 197.278 ? ? ? O1A A1LZM 60  
A1LZM O1D O2  O  0 1 N N N N N N 182.396 225.166 194.302 ? ? ? O1D A1LZM 61  
A1LZM O2A O3  O  0 1 N N N N N N 185.925 229.505 198.457 ? ? ? O2A A1LZM 62  
A1LZM O2D O4  O  0 1 N N N N N N 184.004 226.726 193.793 ? ? ? O2D A1LZM 63  
A1LZM OBB O5  O  0 1 N N N N N N 175.400 228.839 202.696 ? ? ? OBB A1LZM 64  
A1LZM OBD O6  O  0 1 N N N N N N 180.845 226.900 191.573 ? ? ? OBD A1LZM 65  
A1LZM MG  MG1 MG 0 0 N N N N N N 178.268 227.992 197.484 ? ? ? MG  A1LZM 66  
A1LZM H1  H1  H  0 1 N N N N N N 186.850 229.322 200.301 ? ? ? H1  A1LZM 67  
A1LZM H2  H2  H  0 1 N N N N N N 185.907 227.893 199.757 ? ? ? H2  A1LZM 68  
A1LZM H3  H3  H  0 1 N N N N N N 183.811 229.691 200.006 ? ? ? H3  A1LZM 69  
A1LZM H4  H4  H  0 1 N N N N N N 185.886 229.705 203.685 ? ? ? H4  A1LZM 70  
A1LZM H5  H5  H  0 1 N N N N N N 186.331 228.415 202.518 ? ? ? H5  A1LZM 71  
A1LZM H6  H6  H  0 1 N N N N N N 186.841 230.111 202.219 ? ? ? H6  A1LZM 72  
A1LZM H7  H7  H  0 1 N N N N N N 184.426 229.263 204.284 ? ? ? H7  A1LZM 73  
A1LZM H8  H8  H  0 1 N N N N N N 183.879 230.949 204.575 ? ? ? H8  A1LZM 74  
A1LZM H9  H9  H  0 1 N N N N N N 179.060 226.774 207.082 ? ? ? H9  A1LZM 75  
A1LZM H10 H10 H  0 1 N N N N N N 176.450 230.075 207.546 ? ? ? H10 A1LZM 76  
A1LZM H11 H11 H  0 1 N N N N N N 178.197 230.369 207.843 ? ? ? H11 A1LZM 77  
A1LZM H12 H12 H  0 1 N N N N N N 177.598 230.132 206.166 ? ? ? H12 A1LZM 78  
A1LZM H13 H13 H  0 1 N N N N N N 175.545 229.330 207.970 ? ? ? H13 A1LZM 79  
A1LZM H14 H14 H  0 1 N N N N N N 175.057 228.121 209.206 ? ? ? H14 A1LZM 80  
A1LZM H15 H15 H  0 1 N N N N N N 174.244 228.370 206.312 ? ? ? H15 A1LZM 81  
A1LZM H16 H16 H  0 1 N N N N N N 174.324 226.733 207.046 ? ? ? H16 A1LZM 82  
A1LZM H17 H17 H  0 1 N N N N N N 172.867 227.534 208.898 ? ? ? H17 A1LZM 83  
A1LZM H18 H18 H  0 1 N N N N N N 182.660 229.698 202.184 ? ? ? H18 A1LZM 84  
A1LZM H19 H19 H  0 1 N N N N N N 183.437 231.306 202.380 ? ? ? H19 A1LZM 85  
A1LZM H20 H20 H  0 1 N N N N N N 176.378 226.690 207.114 ? ? ? H20 A1LZM 86  
A1LZM H21 H21 H  0 1 N N N N N N 176.946 226.978 208.794 ? ? ? H21 A1LZM 87  
A1LZM H22 H22 H  0 1 N N N N N N 182.323 229.831 206.721 ? ? ? H22 A1LZM 88  
A1LZM H23 H23 H  0 1 N N N N N N 181.191 227.281 205.505 ? ? ? H23 A1LZM 89  
A1LZM H24 H24 H  0 1 N N N N N N 181.487 227.464 207.267 ? ? ? H24 A1LZM 90  
A1LZM H25 H25 H  0 1 N N N N N N 179.659 229.146 205.493 ? ? ? H25 A1LZM 91  
A1LZM H26 H26 H  0 1 N N N N N N 180.095 229.588 207.179 ? ? ? H26 A1LZM 92  
A1LZM H27 H27 H  0 1 N N N N N N 170.783 227.595 207.563 ? ? ? H27 A1LZM 93  
A1LZM H28 H28 H  0 1 N N N N N N 171.753 227.888 206.080 ? ? ? H28 A1LZM 94  
A1LZM H29 H29 H  0 1 N N N N N N 171.929 226.341 206.977 ? ? ? H29 A1LZM 95  
A1LZM H30 H30 H  0 1 N N N N N N 171.620 229.648 208.632 ? ? ? H30 A1LZM 96  
A1LZM H31 H31 H  0 1 N N N N N N 173.386 229.930 208.802 ? ? ? H31 A1LZM 97  
A1LZM H32 H32 H  0 1 N N N N N N 172.610 230.047 207.186 ? ? ? H32 A1LZM 98  
A1LZM H33 H33 H  0 1 N N N N N N 181.567 230.290 204.573 ? ? ? H33 A1LZM 99  
A1LZM H34 H34 H  0 1 N N N N N N 181.970 228.649 203.965 ? ? ? H34 A1LZM 100 
A1LZM H35 H35 H  0 1 N N N N N N 184.564 229.022 206.061 ? ? ? H35 A1LZM 101 
A1LZM H36 H36 H  0 1 N N N N N N 183.826 227.982 207.326 ? ? ? H36 A1LZM 102 
A1LZM H37 H37 H  0 1 N N N N N N 183.855 227.432 205.616 ? ? ? H37 A1LZM 103 
A1LZM H38 H38 H  0 1 N N N N N N 182.487 229.775 195.844 ? ? ? H38 A1LZM 104 
A1LZM H39 H39 H  0 1 N N N N N N 182.945 229.994 197.567 ? ? ? H39 A1LZM 105 
A1LZM H40 H40 H  0 1 N N N N N N 173.240 227.481 194.612 ? ? ? H40 A1LZM 106 
A1LZM H43 H43 H  0 1 N N N N N N 184.658 228.783 195.352 ? ? ? H43 A1LZM 107 
A1LZM H44 H44 H  0 1 N N N N N N 184.873 230.387 196.132 ? ? ? H44 A1LZM 108 
A1LZM H45 H45 H  0 1 N N N N N N 175.782 227.679 204.857 ? ? ? H45 A1LZM 109 
A1LZM H46 H46 H  0 1 N N N N N N 176.675 226.375 204.004 ? ? ? H46 A1LZM 110 
A1LZM H47 H47 H  0 1 N N N N N N 177.558 227.813 204.620 ? ? ? H47 A1LZM 111 
A1LZM H48 H48 H  0 1 N N N N N N 170.910 227.580 195.170 ? ? ? H48 A1LZM 112 
A1LZM H49 H49 H  0 1 N N N N N N 171.337 226.954 196.798 ? ? ? H49 A1LZM 113 
A1LZM H50 H50 H  0 1 N N N N N N 171.338 228.723 196.488 ? ? ? H50 A1LZM 114 
A1LZM H51 H51 H  0 1 N N N N N N 182.082 228.331 193.730 ? ? ? H51 A1LZM 115 
A1LZM H52 H52 H  0 1 N N N N N N 185.978 226.209 193.518 ? ? ? H52 A1LZM 116 
A1LZM H53 H53 H  0 1 N N N N N N 185.045 225.168 194.646 ? ? ? H53 A1LZM 117 
A1LZM H54 H54 H  0 1 N N N N N N 184.767 225.048 192.875 ? ? ? H54 A1LZM 118 
A1LZM H55 H55 H  0 1 N N N N N N 181.234 227.041 200.614 ? ? ? H55 A1LZM 119 
A1LZM H56 H56 H  0 1 N N N N N N 175.054 228.818 200.400 ? ? ? H56 A1LZM 120 
A1LZM H57 H57 H  0 1 N N N N N N 175.091 227.363 194.208 ? ? ? H57 A1LZM 121 
A1LZM H58 H58 H  0 1 N N N N N N 182.978 226.335 199.990 ? ? ? H58 A1LZM 122 
A1LZM H59 H59 H  0 1 N N N N N N 182.541 225.625 198.399 ? ? ? H59 A1LZM 123 
A1LZM H60 H60 H  0 1 N N N N N N 184.126 226.443 198.613 ? ? ? H60 A1LZM 124 
A1LZM H61 H61 H  0 1 N N N N N N 180.198 228.459 203.310 ? ? ? H61 A1LZM 125 
A1LZM H62 H62 H  0 1 N N N N N N 179.225 227.040 203.827 ? ? ? H62 A1LZM 126 
A1LZM H63 H63 H  0 1 N N N N N N 180.588 226.824 202.677 ? ? ? H63 A1LZM 127 
A1LZM H64 H64 H  0 1 N N N N N N 172.413 226.763 198.519 ? ? ? H64 A1LZM 128 
A1LZM H65 H65 H  0 1 N N N N N N 174.023 225.968 198.526 ? ? ? H65 A1LZM 129 
A1LZM H66 H66 H  0 1 N N N N N N 173.545 227.039 199.887 ? ? ? H66 A1LZM 130 
A1LZM H67 H67 H  0 1 N N N N N N 178.062 226.782 191.103 ? ? ? H67 A1LZM 131 
A1LZM H68 H68 H  0 1 N N N N N N 176.628 226.000 191.851 ? ? ? H68 A1LZM 132 
A1LZM H69 H69 H  0 1 N N N N N N 176.613 227.763 191.509 ? ? ? H69 A1LZM 133 
A1LZM H71 H71 H  0 1 N N N N N N 183.161 227.200 196.533 ? ? ? H71 A1LZM 134 
A1LZM H72 H72 H  0 1 N N N N N N 173.514 228.994 198.318 ? ? ? H72 A1LZM 135 
A1LZM H73 H73 H  0 1 N N N N N N 182.887 228.613 199.032 ? ? ? H73 A1LZM 136 
# 
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 
A1LZM C1  C2  SING N N 1   
A1LZM C1  O2A SING N N 2   
A1LZM C2  C3  DOUB N E 3   
A1LZM C4  C3  SING N N 4   
A1LZM C6  C5  SING N N 5   
A1LZM C6  C7  SING N N 6   
A1LZM C12 C13 DOUB N E 7   
A1LZM C12 C11 SING N N 8   
A1LZM C13 C14 SING N N 9   
A1LZM C13 C15 SING N N 10  
A1LZM C16 C17 SING N N 11  
A1LZM C16 C15 SING N N 12  
A1LZM C17 C18 SING N N 13  
A1LZM C18 C19 SING N N 14  
A1LZM C18 C20 SING N N 15  
A1LZM C3  C5  SING N N 16  
A1LZM C8  C10 SING N N 17  
A1LZM C8  C7  SING N N 18  
A1LZM C8  C9  SING N N 19  
A1LZM NB  C1B SING Y N 20  
A1LZM NB  C4B SING Y N 21  
A1LZM NB  MG  SING N N 22  
A1LZM ND  C1D SING N N 23  
A1LZM ND  C4D SING N N 24  
A1LZM ND  MG  SING N N 25  
A1LZM C10 C11 SING N N 26  
A1LZM C1A C2A SING N N 27  
A1LZM C1A CHA SING N N 28  
A1LZM C1A NA  DOUB N N 29  
A1LZM C1B C2B DOUB Y N 30  
A1LZM C1B CHB SING N N 31  
A1LZM C1C C2C SING N N 32  
A1LZM C1C CHC DOUB N N 33  
A1LZM C1C NC  SING N N 34  
A1LZM C1D C2D SING N N 35  
A1LZM C1D CHD DOUB N N 36  
A1LZM C2A C3A SING N N 37  
A1LZM C2A CAA SING N N 38  
A1LZM C2B C3B SING Y N 39  
A1LZM C2B CMB SING N N 40  
A1LZM C2C C3C SING N N 41  
A1LZM C2C CMC SING N N 42  
A1LZM C2D C3D DOUB N N 43  
A1LZM C2D CMD SING N N 44  
A1LZM C3A C4A SING N N 45  
A1LZM C3A CMA SING N N 46  
A1LZM C3B C4B DOUB Y N 47  
A1LZM C3B CAB SING N N 48  
A1LZM C3C C4C SING N N 49  
A1LZM C3C CAC DOUB N E 50  
A1LZM C3D C4D SING N N 51  
A1LZM C3D CAD SING N N 52  
A1LZM C4A CHB DOUB N N 53  
A1LZM C4A NA  SING N N 54  
A1LZM C4B CHC SING N N 55  
A1LZM C4C CHD SING N N 56  
A1LZM C4C NC  DOUB N N 57  
A1LZM C4D CHA DOUB N N 58  
A1LZM CAA CBA SING N N 59  
A1LZM CAB CBB SING N N 60  
A1LZM CAB OBB DOUB N N 61  
A1LZM CAC CBC SING N N 62  
A1LZM CAD CBD SING N N 63  
A1LZM CAD OBD DOUB N N 64  
A1LZM CBA CGA SING N N 65  
A1LZM CBD CGD SING N N 66  
A1LZM CBD CHA SING N N 67  
A1LZM CED O2D SING N N 68  
A1LZM CGA O1A DOUB N N 69  
A1LZM CGA O2A SING N N 70  
A1LZM CGD O1D DOUB N N 71  
A1LZM CGD O2D SING N N 72  
A1LZM NA  MG  SING N N 73  
A1LZM NC  MG  SING N N 74  
A1LZM C1  H1  SING N N 75  
A1LZM C1  H2  SING N N 76  
A1LZM C2  H3  SING N N 77  
A1LZM C4  H4  SING N N 78  
A1LZM C4  H5  SING N N 79  
A1LZM C4  H6  SING N N 80  
A1LZM C6  H7  SING N N 81  
A1LZM C6  H8  SING N N 82  
A1LZM C12 H9  SING N N 83  
A1LZM C14 H10 SING N N 84  
A1LZM C14 H11 SING N N 85  
A1LZM C14 H12 SING N N 86  
A1LZM C16 H13 SING N N 87  
A1LZM C16 H14 SING N N 88  
A1LZM C17 H15 SING N N 89  
A1LZM C17 H16 SING N N 90  
A1LZM C18 H17 SING N N 91  
A1LZM C5  H18 SING N N 92  
A1LZM C5  H19 SING N N 93  
A1LZM C15 H20 SING N N 94  
A1LZM C15 H21 SING N N 95  
A1LZM C8  H22 SING N N 96  
A1LZM C10 H23 SING N N 97  
A1LZM C10 H24 SING N N 98  
A1LZM C11 H25 SING N N 99  
A1LZM C11 H26 SING N N 100 
A1LZM C19 H27 SING N N 101 
A1LZM C19 H28 SING N N 102 
A1LZM C19 H29 SING N N 103 
A1LZM C20 H30 SING N N 104 
A1LZM C20 H31 SING N N 105 
A1LZM C20 H32 SING N N 106 
A1LZM C7  H33 SING N N 107 
A1LZM C7  H34 SING N N 108 
A1LZM C9  H35 SING N N 109 
A1LZM C9  H36 SING N N 110 
A1LZM C9  H37 SING N N 111 
A1LZM CAA H38 SING N N 112 
A1LZM CAA H39 SING N N 113 
A1LZM CAC H40 SING N N 114 
A1LZM CBA H43 SING N N 115 
A1LZM CBA H44 SING N N 116 
A1LZM CBB H45 SING N N 117 
A1LZM CBB H46 SING N N 118 
A1LZM CBB H47 SING N N 119 
A1LZM CBC H48 SING N N 120 
A1LZM CBC H49 SING N N 121 
A1LZM CBC H50 SING N N 122 
A1LZM CBD H51 SING N N 123 
A1LZM CED H52 SING N N 124 
A1LZM CED H53 SING N N 125 
A1LZM CED H54 SING N N 126 
A1LZM CHB H55 SING N N 127 
A1LZM CHC H56 SING N N 128 
A1LZM CHD H57 SING N N 129 
A1LZM CMA H58 SING N N 130 
A1LZM CMA H59 SING N N 131 
A1LZM CMA H60 SING N N 132 
A1LZM CMB H61 SING N N 133 
A1LZM CMB H62 SING N N 134 
A1LZM CMB H63 SING N N 135 
A1LZM CMC H64 SING N N 136 
A1LZM CMC H65 SING N N 137 
A1LZM CMC H66 SING N N 138 
A1LZM CMD H67 SING N N 139 
A1LZM CMD H68 SING N N 140 
A1LZM CMD H69 SING N N 141 
A1LZM C2A H71 SING N N 142 
A1LZM C2C H72 SING N N 143 
A1LZM C3A H73 SING N N 144 
# 
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 
A1LZM InChI            InChI                1.06  "InChI=1S/C55H71N4O6.Mg/c1-13-39-34(7)41-29-46-48(38(11)60)36(9)43(57-46)27-42-35(8)40(52(58-42)50-51(55(63)64-12)54(62)49-37(10)44(59-53(49)50)28-45(39)56-41)23-24-47(61)65-26-25-33(6)22-16-21-32(5)20-15-19-31(4)18-14-17-30(2)3;/h13,19,25,27-30,32,34-35,40,51H,14-18,20-24,26H2,1-12H3,(H-,56,57,58,59,60,62);/q-1;+2/p-1/b31-19+,33-25+,39-13+;/t32-,34?,35?,40?,51-;/m1./s1" 
A1LZM InChIKey         InChI                1.06  CEXNNVAXOSZTBM-NEIICFFNSA-M                                                                                                                                                                                                                                                                                                                                                           
A1LZM SMILES_CANONICAL CACTVS               3.385 "COC(=O)[C@H]1C(=O)C2=C(C)C3=CC4=NC(=Cc5n6[Mg][N@@]3C2=C1C7=NC(=Cc6c(C)c5C(C)=O)[C@H](C)[C@@H]7CCC(=O)OC\C=C(/C)CCC[C@H](C)CC\C=C(/C)CCCC(C)C)[C@@H](C)\C4=C/C"                                                                                                                                                                                                                       
A1LZM SMILES           CACTVS               3.385 "COC(=O)[CH]1C(=O)C2=C(C)C3=CC4=NC(=Cc5n6[Mg][N]3C2=C1C7=NC(=Cc6c(C)c5C(C)=O)[CH](C)[CH]7CCC(=O)OCC=C(C)CCC[CH](C)CCC=C(C)CCCC(C)C)[CH](C)C4=CC"                                                                                                                                                                                                                                      
A1LZM SMILES_CANONICAL "OpenEye OEToolkits" 2.0.7 "C/C=C/1\C(C2=Cc3c(c(c4n3[Mg]56[N]2=C1C=C7N5C8=C([C@H](C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)C(C9CCC(=O)OC/C=C(\C)/CCC[C@H](C)CC/C=C(\C)/CCCC(C)C)C)C)C(=O)C)C"                                                                                                                                                                                                                            
A1LZM SMILES           "OpenEye OEToolkits" 2.0.7 "CC=C1C(C2=Cc3c(c(c4n3[Mg]56[N]2=C1C=C7N5C8=C(C(C(=O)C8=C7C)C(=O)OC)C9=[N]6C(=C4)C(C9CCC(=O)OCC=C(C)CCCC(C)CCC=C(C)CCCC(C)C)C)C)C(=O)C)C"                                                                                                                                                                                                                                             
# 
loop_
_pdbx_chem_comp_audit.comp_id 
_pdbx_chem_comp_audit.action_type 
_pdbx_chem_comp_audit.date 
_pdbx_chem_comp_audit.processing_site 
A1LZM "Create component" 2024-03-26 PDBJ 
A1LZM "Initial release"  2024-05-22 RCSB 
# 
