data_A1LZQ
# 
_chem_comp.id                                    A1LZQ 
_chem_comp.name                                  "Trans-Geranyl 8-vinyl-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                     2024-03-27 
_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                     A1LZQ 
_chem_comp.pdbx_model_coordinates_details        ? 
_chem_comp.pdbx_model_coordinates_missing_flag   Y 
_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 
A1LZQ NB  N1  N  0 1 Y N N N N N 191.983 223.752 222.229 ? ? ? NB  A1LZQ 1   
A1LZQ ND  N2  N  0 1 N N S N N N 194.510 220.989 220.663 ? ? ? ND  A1LZQ 2   
A1LZQ C1A C1  C  0 1 N N N N N N 196.071 223.029 222.465 ? ? ? C1A A1LZQ 3   
A1LZQ C1B C2  C  0 1 Y N N N N N 192.233 224.804 223.032 ? ? ? C1B A1LZQ 4   
A1LZQ C1C C3  C  0 1 N N N N N N 190.575 221.867 220.502 ? ? ? C1C A1LZQ 5   
A1LZQ C1D C4  C  0 1 N N N N N N 194.392 219.925 219.856 ? ? ? C1D A1LZQ 6   
A1LZQ C2A C5  C  0 1 N N S N N N 196.939 223.930 223.286 ? ? ? C2A A1LZQ 7   
A1LZQ C2B C6  C  0 1 Y N N N N N 191.062 225.571 223.520 ? ? ? C2B A1LZQ 8   
A1LZQ C2C C7  C  0 1 N N R N N N 189.703 221.033 219.631 ? ? ? C2C A1LZQ 9   
A1LZQ C2D C8  C  0 1 N N N N N N 195.671 219.157 219.685 ? ? ? C2D A1LZQ 10  
A1LZQ C3A C9  C  0 1 N N S N N N 195.910 224.731 224.036 ? ? ? C3A A1LZQ 11  
A1LZQ C3B C10 C  0 1 Y N N N N N 189.973 224.830 222.870 ? ? ? C3B A1LZQ 12  
A1LZQ C3C C11 C  0 1 N N R N N N 190.717 220.320 218.790 ? ? ? C3C A1LZQ 13  
A1LZQ C3D C12 C  0 1 N N N N N N 196.557 219.989 220.508 ? ? ? C3D A1LZQ 14  
A1LZQ C4A C13 C  0 1 N N N N N N 194.678 224.400 223.263 ? ? ? C4A A1LZQ 15  
A1LZQ C4B C14 C  0 1 Y N N N N N 190.654 223.767 222.095 ? ? ? C4B A1LZQ 16  
A1LZQ C4C C15 C  0 1 N N N N N N 191.965 220.592 219.564 ? ? ? C4C A1LZQ 17  
A1LZQ C4D C16 C  0 1 N N N N N N 195.837 220.996 220.993 ? ? ? C4D A1LZQ 18  
A1LZQ CAA C17 C  0 1 N N N N N N 197.835 224.788 222.398 ? ? ? CAA A1LZQ 19  
A1LZQ CAB C18 C  0 1 N N N N N N 188.505 225.085 222.934 ? ? ? CAB A1LZQ 20  
A1LZQ CAC C19 C  0 1 N N N N N N 190.804 220.931 217.414 ? ? ? CAC A1LZQ 21  
A1LZQ CAD C20 C  0 1 N N N N N N 197.952 220.115 220.983 ? ? ? CAD A1LZQ 22  
A1LZQ CBA C21 C  0 1 N N N N N N 197.042 225.424 221.265 ? ? ? CBA A1LZQ 23  
A1LZQ CBB C22 C  0 1 N N N N N N 187.889 225.373 224.268 ? ? ? CBB A1LZQ 24  
A1LZQ CBC C23 C  0 1 N N N N N N 191.437 222.072 217.243 ? ? ? CBC A1LZQ 25  
A1LZQ CBD C24 C  0 1 N N R N N N 198.064 221.333 221.836 ? ? ? CBD A1LZQ 26  
A1LZQ CED C25 C  0 1 N N N N N N 198.379 220.015 225.427 ? ? ? CED A1LZQ 27  
A1LZQ CGA C26 C  0 1 N N N N N N 197.981 225.891 220.192 ? ? ? CGA A1LZQ 28  
A1LZQ CGD C27 C  0 1 N N N N N N 198.590 220.992 223.191 ? ? ? CGD A1LZQ 29  
A1LZQ CHA C28 C  0 1 N N N N N N 196.658 221.844 221.821 ? ? ? CHA A1LZQ 30  
A1LZQ CHB C29 C  0 1 N N N N N N 193.602 225.158 223.409 ? ? ? CHB A1LZQ 31  
A1LZQ CHC C30 C  0 1 N N N N N N 189.980 222.763 221.277 ? ? ? CHC A1LZQ 32  
A1LZQ CHD C31 C  0 1 N N N N N N 193.072 219.664 219.315 ? ? ? CHD A1LZQ 33  
A1LZQ CMA C32 C  0 1 N N N N N N 195.790 224.261 225.474 ? ? ? CMA A1LZQ 34  
A1LZQ CMB C33 C  0 1 N N N N N N 191.052 226.762 224.440 ? ? ? CMB A1LZQ 35  
A1LZQ CMC C34 C  0 1 N N N N N N 188.912 220.052 220.479 ? ? ? CMC A1LZQ 36  
A1LZQ CMD C35 C  0 1 N N N N N N 196.164 217.929 218.974 ? ? ? CMD A1LZQ 37  
A1LZQ NA  N3  N  0 1 N N N N N N 194.834 223.366 222.427 ? ? ? NA  A1LZQ 38  
A1LZQ NC  N4  N  0 1 N N N N N N 191.886 221.582 220.391 ? ? ? NC  A1LZQ 39  
A1LZQ O1A O1  O  0 1 N N N N N N 197.592 226.612 219.289 ? ? ? O1A A1LZQ 40  
A1LZQ O1D O2  O  0 1 N N N N N N 199.733 221.279 223.488 ? ? ? O1D A1LZQ 41  
A1LZQ O2A O3  O  0 1 N N N N N N 199.365 225.469 220.229 ? ? ? O2A A1LZQ 42  
A1LZQ O2D O4  O  0 1 N N N N N N 197.779 220.318 224.177 ? ? ? O2D A1LZQ 43  
A1LZQ OBB O5  O  0 1 N N N N N N 187.844 225.051 221.914 ? ? ? OBB A1LZQ 44  
A1LZQ OBD O6  O  0 1 N N N N N N 198.968 219.293 220.689 ? ? ? OBD A1LZQ 45  
A1LZQ MG  MG1 MG 0 0 N N N N N N 193.370 222.531 221.349 ? ? ? MG  A1LZQ 46  
A1LZQ H1  H1  H  0 1 N N N N N N 198.289 225.583 223.008 ? ? ? H1  A1LZQ 47  
A1LZQ H2  H2  H  0 1 N N N N N N 198.627 224.156 221.970 ? ? ? H2  A1LZQ 48  
A1LZQ H3  H3  H  0 1 N N N N N N 190.348 220.433 216.571 ? ? ? H3  A1LZQ 49  
A1LZQ H5  H5  H  0 1 N N N N N N 196.346 224.683 220.845 ? ? ? H5  A1LZQ 50  
A1LZQ H6  H6  H  0 1 N N N N N N 196.474 226.282 221.653 ? ? ? H6  A1LZQ 51  
A1LZQ H7  H7  H  0 1 N N N N N N 186.808 225.534 224.146 ? ? ? H7  A1LZQ 52  
A1LZQ H8  H8  H  0 1 N N N N N N 188.059 224.520 224.942 ? ? ? H8  A1LZQ 53  
A1LZQ H9  H9  H  0 1 N N N N N N 188.348 226.276 224.696 ? ? ? H9  A1LZQ 54  
A1LZQ H10 H10 H  0 1 N N N N N N 191.501 222.512 216.259 ? ? ? H10 A1LZQ 55  
A1LZQ H11 H11 H  0 1 N N N N N N 191.893 222.569 218.087 ? ? ? H11 A1LZQ 56  
A1LZQ H12 H12 H  0 1 N N N N N N 198.729 222.064 221.353 ? ? ? H12 A1LZQ 57  
A1LZQ H13 H13 H  0 1 N N N N N N 197.647 219.506 226.072 ? ? ? H13 A1LZQ 58  
A1LZQ H14 H14 H  0 1 N N N N N N 199.247 219.358 225.267 ? ? ? H14 A1LZQ 59  
A1LZQ H15 H15 H  0 1 N N N N N N 198.709 220.946 225.911 ? ? ? H15 A1LZQ 60  
A1LZQ H16 H16 H  0 1 N N N N N N 193.749 226.133 223.849 ? ? ? H16 A1LZQ 61  
A1LZQ H17 H17 H  0 1 N N N N N N 188.900 222.749 221.306 ? ? ? H17 A1LZQ 62  
A1LZQ H18 H18 H  0 1 N N N N N N 192.903 218.777 218.723 ? ? ? H18 A1LZQ 63  
A1LZQ H19 H19 H  0 1 N N N N N N 195.032 224.864 225.995 ? ? ? H19 A1LZQ 64  
A1LZQ H20 H20 H  0 1 N N N N N N 195.491 223.203 225.490 ? ? ? H20 A1LZQ 65  
A1LZQ H21 H21 H  0 1 N N N N N N 196.760 224.375 225.979 ? ? ? H21 A1LZQ 66  
A1LZQ H22 H22 H  0 1 N N N N N N 191.116 227.686 223.846 ? ? ? H22 A1LZQ 67  
A1LZQ H23 H23 H  0 1 N N N N N N 190.120 226.766 225.025 ? ? ? H23 A1LZQ 68  
A1LZQ H24 H24 H  0 1 N N N N N N 191.913 226.705 225.123 ? ? ? H24 A1LZQ 69  
A1LZQ H25 H25 H  0 1 N N N N N N 188.270 219.439 219.829 ? ? ? H25 A1LZQ 70  
A1LZQ H26 H26 H  0 1 N N N N N N 189.606 219.400 221.029 ? ? ? H26 A1LZQ 71  
A1LZQ H27 H27 H  0 1 N N N N N N 188.287 220.607 221.194 ? ? ? H27 A1LZQ 72  
A1LZQ H28 H28 H  0 1 N N N N N N 197.236 217.791 219.180 ? ? ? H28 A1LZQ 73  
A1LZQ H29 H29 H  0 1 N N N N N N 195.606 217.051 219.330 ? ? ? H29 A1LZQ 74  
A1LZQ H30 H30 H  0 1 N N N N N N 196.011 218.046 217.891 ? ? ? H30 A1LZQ 75  
A1LZQ C1  C36 C  0 1 N N N N N N ?       ?       ?       ? ? ? C1  A1LZQ 76  
A1LZQ C2  C37 C  0 1 N N N N N N ?       ?       ?       ? ? ? C2  A1LZQ 77  
A1LZQ C3  C38 C  0 1 N N N N N N ?       ?       ?       ? ? ? C3  A1LZQ 78  
A1LZQ C4  C39 C  0 1 N N N N N N ?       ?       ?       ? ? ? C4  A1LZQ 79  
A1LZQ C5  C40 C  0 1 N N N N N N ?       ?       ?       ? ? ? C5  A1LZQ 80  
A1LZQ C6  C41 C  0 1 N N N N N N ?       ?       ?       ? ? ? C6  A1LZQ 81  
A1LZQ C7  C42 C  0 1 N N N N N N ?       ?       ?       ? ? ? C7  A1LZQ 82  
A1LZQ C8  C43 C  0 1 N N N N N N ?       ?       ?       ? ? ? C8  A1LZQ 83  
A1LZQ C9  C44 C  0 1 N N N N N N ?       ?       ?       ? ? ? C9  A1LZQ 84  
A1LZQ C10 C45 C  0 1 N N N N N N ?       ?       ?       ? ? ? C10 A1LZQ 85  
A1LZQ C11 C46 C  0 1 N N N N N N ?       ?       ?       ? ? ? C11 A1LZQ 86  
A1LZQ C12 C47 C  0 1 N N N N N N ?       ?       ?       ? ? ? C12 A1LZQ 87  
A1LZQ C13 C48 C  0 1 N N N N N N ?       ?       ?       ? ? ? C13 A1LZQ 88  
A1LZQ C14 C49 C  0 1 N N N N N N ?       ?       ?       ? ? ? C14 A1LZQ 89  
A1LZQ C15 C50 C  0 1 N N N N N N ?       ?       ?       ? ? ? C15 A1LZQ 90  
A1LZQ C16 C51 C  0 1 N N N N N N ?       ?       ?       ? ? ? C16 A1LZQ 91  
A1LZQ C17 C52 C  0 1 N N N N N N ?       ?       ?       ? ? ? C17 A1LZQ 92  
A1LZQ C18 C53 C  0 1 N N N N N N ?       ?       ?       ? ? ? C18 A1LZQ 93  
A1LZQ C19 C54 C  0 1 N N N N N N ?       ?       ?       ? ? ? C19 A1LZQ 94  
A1LZQ C20 C55 C  0 1 N N N N N N ?       ?       ?       ? ? ? C20 A1LZQ 95  
A1LZQ H33 H33 H  0 1 N N N N N N 197.552 223.342 223.985 ? ? ? H33 A1LZQ 96  
A1LZQ H34 H34 H  0 1 N N N N N N 189.035 221.653 219.015 ? ? ? H34 A1LZQ 97  
A1LZQ H35 H35 H  0 1 N N N N N N 196.134 225.807 223.991 ? ? ? H35 A1LZQ 98  
A1LZQ H36 H36 H  0 1 N N N N N N 190.505 219.242 218.734 ? ? ? H36 A1LZQ 99  
A1LZQ H31 H31 H  0 1 N N N N N N ?       ?       ?       ? ? ? H31 A1LZQ 100 
A1LZQ H37 H37 H  0 1 N N N N N N ?       ?       ?       ? ? ? H37 A1LZQ 101 
A1LZQ H38 H38 H  0 1 N N N N N N ?       ?       ?       ? ? ? H38 A1LZQ 102 
A1LZQ H39 H39 H  0 1 N N N N N N ?       ?       ?       ? ? ? H39 A1LZQ 103 
A1LZQ H40 H40 H  0 1 N N N N N N ?       ?       ?       ? ? ? H40 A1LZQ 104 
A1LZQ H41 H41 H  0 1 N N N N N N ?       ?       ?       ? ? ? H41 A1LZQ 105 
A1LZQ H42 H42 H  0 1 N N N N N N ?       ?       ?       ? ? ? H42 A1LZQ 106 
A1LZQ H43 H43 H  0 1 N N N N N N ?       ?       ?       ? ? ? H43 A1LZQ 107 
A1LZQ H44 H44 H  0 1 N N N N N N ?       ?       ?       ? ? ? H44 A1LZQ 108 
A1LZQ H45 H45 H  0 1 N N N N N N ?       ?       ?       ? ? ? H45 A1LZQ 109 
A1LZQ H46 H46 H  0 1 N N N N N N ?       ?       ?       ? ? ? H46 A1LZQ 110 
A1LZQ H47 H47 H  0 1 N N N N N N ?       ?       ?       ? ? ? H47 A1LZQ 111 
A1LZQ H48 H48 H  0 1 N N N N N N ?       ?       ?       ? ? ? H48 A1LZQ 112 
A1LZQ H49 H49 H  0 1 N N N N N N ?       ?       ?       ? ? ? H49 A1LZQ 113 
A1LZQ H50 H50 H  0 1 N N N N N N ?       ?       ?       ? ? ? H50 A1LZQ 114 
A1LZQ H51 H51 H  0 1 N N N N N N ?       ?       ?       ? ? ? H51 A1LZQ 115 
A1LZQ H52 H52 H  0 1 N N N N N N ?       ?       ?       ? ? ? H52 A1LZQ 116 
A1LZQ H53 H53 H  0 1 N N N N N N ?       ?       ?       ? ? ? H53 A1LZQ 117 
A1LZQ H54 H54 H  0 1 N N N N N N ?       ?       ?       ? ? ? H54 A1LZQ 118 
A1LZQ H55 H55 H  0 1 N N N N N N ?       ?       ?       ? ? ? H55 A1LZQ 119 
A1LZQ H56 H56 H  0 1 N N N N N N ?       ?       ?       ? ? ? H56 A1LZQ 120 
A1LZQ H57 H57 H  0 1 N N N N N N ?       ?       ?       ? ? ? H57 A1LZQ 121 
A1LZQ H58 H58 H  0 1 N N N N N N ?       ?       ?       ? ? ? H58 A1LZQ 122 
A1LZQ H59 H59 H  0 1 N N N N N N ?       ?       ?       ? ? ? H59 A1LZQ 123 
A1LZQ H60 H60 H  0 1 N N N N N N ?       ?       ?       ? ? ? H60 A1LZQ 124 
A1LZQ H61 H61 H  0 1 N N N N N N ?       ?       ?       ? ? ? H61 A1LZQ 125 
A1LZQ H62 H62 H  0 1 N N N N N N ?       ?       ?       ? ? ? H62 A1LZQ 126 
A1LZQ H63 H63 H  0 1 N N N N N N ?       ?       ?       ? ? ? H63 A1LZQ 127 
A1LZQ H64 H64 H  0 1 N N N N N N ?       ?       ?       ? ? ? H64 A1LZQ 128 
A1LZQ H65 H65 H  0 1 N N N N N N ?       ?       ?       ? ? ? H65 A1LZQ 129 
A1LZQ H66 H66 H  0 1 N N N N N N ?       ?       ?       ? ? ? H66 A1LZQ 130 
A1LZQ H67 H67 H  0 1 N N N N N N ?       ?       ?       ? ? ? H67 A1LZQ 131 
A1LZQ H68 H68 H  0 1 N N N N N N ?       ?       ?       ? ? ? H68 A1LZQ 132 
A1LZQ H69 H69 H  0 1 N N N N N N ?       ?       ?       ? ? ? H69 A1LZQ 133 
A1LZQ H70 H70 H  0 1 N N N N N N ?       ?       ?       ? ? ? H70 A1LZQ 134 
A1LZQ H71 H71 H  0 1 N N N N N N ?       ?       ?       ? ? ? H71 A1LZQ 135 
A1LZQ H72 H72 H  0 1 N N N N N N ?       ?       ?       ? ? ? H72 A1LZQ 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 
A1LZQ NB  C1B SING Y N 1   
A1LZQ NB  C4B SING Y N 2   
A1LZQ NB  MG  SING N N 3   
A1LZQ ND  C1D SING N N 4   
A1LZQ ND  C4D SING N N 5   
A1LZQ ND  MG  SING N N 6   
A1LZQ C1A C2A SING N N 7   
A1LZQ C1A CHA SING N N 8   
A1LZQ C1A NA  DOUB N N 9   
A1LZQ C1B C2B DOUB Y N 10  
A1LZQ C1B CHB SING N N 11  
A1LZQ C1C C2C SING N N 12  
A1LZQ C1C CHC DOUB N N 13  
A1LZQ C1C NC  SING N N 14  
A1LZQ C1D C2D SING N N 15  
A1LZQ C1D CHD DOUB N N 16  
A1LZQ C2A C3A SING N N 17  
A1LZQ C2A CAA SING N N 18  
A1LZQ C2B C3B SING Y N 19  
A1LZQ C2B CMB SING N N 20  
A1LZQ C2C C3C SING N N 21  
A1LZQ C2C CMC SING N N 22  
A1LZQ C2D C3D DOUB N N 23  
A1LZQ C2D CMD SING N N 24  
A1LZQ C3A C4A SING N N 25  
A1LZQ C3A CMA SING N N 26  
A1LZQ C3B C4B DOUB Y N 27  
A1LZQ C3B CAB SING N N 28  
A1LZQ C3C C4C SING N N 29  
A1LZQ C3C CAC SING N N 30  
A1LZQ C3D C4D SING N N 31  
A1LZQ C3D CAD SING N N 32  
A1LZQ C4A CHB DOUB N N 33  
A1LZQ C4A NA  SING N N 34  
A1LZQ C4B CHC SING N N 35  
A1LZQ C4C CHD SING N N 36  
A1LZQ C4C NC  DOUB N N 37  
A1LZQ C4D CHA DOUB N N 38  
A1LZQ CAA CBA SING N N 39  
A1LZQ CAB CBB SING N N 40  
A1LZQ CAB OBB DOUB N N 41  
A1LZQ CAC CBC DOUB N N 42  
A1LZQ CAD CBD SING N N 43  
A1LZQ CAD OBD DOUB N N 44  
A1LZQ CBA CGA SING N N 45  
A1LZQ CBD CGD SING N N 46  
A1LZQ CBD CHA SING N N 47  
A1LZQ CED O2D SING N N 48  
A1LZQ CGA O1A DOUB N N 49  
A1LZQ CGA O2A SING N N 50  
A1LZQ CGD O1D DOUB N N 51  
A1LZQ CGD O2D SING N N 52  
A1LZQ NA  MG  SING N N 53  
A1LZQ NC  MG  SING N N 54  
A1LZQ CAA H1  SING N N 55  
A1LZQ CAA H2  SING N N 56  
A1LZQ CAC H3  SING N N 57  
A1LZQ CBA H5  SING N N 58  
A1LZQ CBA H6  SING N N 59  
A1LZQ CBB H7  SING N N 60  
A1LZQ CBB H8  SING N N 61  
A1LZQ CBB H9  SING N N 62  
A1LZQ CBC H10 SING N N 63  
A1LZQ CBC H11 SING N N 64  
A1LZQ CBD H12 SING N N 65  
A1LZQ CED H13 SING N N 66  
A1LZQ CED H14 SING N N 67  
A1LZQ CED H15 SING N N 68  
A1LZQ CHB H16 SING N N 69  
A1LZQ CHC H17 SING N N 70  
A1LZQ CHD H18 SING N N 71  
A1LZQ CMA H19 SING N N 72  
A1LZQ CMA H20 SING N N 73  
A1LZQ CMA H21 SING N N 74  
A1LZQ CMB H22 SING N N 75  
A1LZQ CMB H23 SING N N 76  
A1LZQ CMB H24 SING N N 77  
A1LZQ CMC H25 SING N N 78  
A1LZQ CMC H26 SING N N 79  
A1LZQ CMC H27 SING N N 80  
A1LZQ CMD H28 SING N N 81  
A1LZQ CMD H29 SING N N 82  
A1LZQ CMD H30 SING N N 83  
A1LZQ O2A C1  SING N N 84  
A1LZQ C1  C2  SING N N 85  
A1LZQ C2  C3  DOUB N N 86  
A1LZQ C3  C4  SING N N 87  
A1LZQ C4  C5  SING N N 88  
A1LZQ C5  C6  SING N N 89  
A1LZQ C6  C7  SING N N 90  
A1LZQ C7  C8  SING N N 91  
A1LZQ C8  C9  SING N N 92  
A1LZQ C9  C10 SING N N 93  
A1LZQ C10 C11 DOUB N N 94  
A1LZQ C11 C12 SING N N 95  
A1LZQ C12 C13 SING N N 96  
A1LZQ C13 C14 SING N N 97  
A1LZQ C14 C15 SING N N 98  
A1LZQ C15 C16 SING N N 99  
A1LZQ C3  C17 SING N N 100 
A1LZQ C7  C18 SING N N 101 
A1LZQ C11 C19 SING N N 102 
A1LZQ C15 C20 SING N N 103 
A1LZQ C2A H33 SING N N 104 
A1LZQ C2C H34 SING N N 105 
A1LZQ C3A H35 SING N N 106 
A1LZQ C3C H36 SING N N 107 
A1LZQ C1  H31 SING N N 108 
A1LZQ C1  H37 SING N N 109 
A1LZQ C2  H38 SING N N 110 
A1LZQ C4  H39 SING N N 111 
A1LZQ C4  H40 SING N N 112 
A1LZQ C5  H41 SING N N 113 
A1LZQ C5  H42 SING N N 114 
A1LZQ C6  H43 SING N N 115 
A1LZQ C6  H44 SING N N 116 
A1LZQ C7  H45 SING N N 117 
A1LZQ C8  H46 SING N N 118 
A1LZQ C8  H47 SING N N 119 
A1LZQ C9  H48 SING N N 120 
A1LZQ C9  H49 SING N N 121 
A1LZQ C10 H50 SING N N 122 
A1LZQ C12 H51 SING N N 123 
A1LZQ C12 H52 SING N N 124 
A1LZQ C13 H53 SING N N 125 
A1LZQ C13 H54 SING N N 126 
A1LZQ C14 H55 SING N N 127 
A1LZQ C14 H56 SING N N 128 
A1LZQ C15 H57 SING N N 129 
A1LZQ C16 H58 SING N N 130 
A1LZQ C16 H59 SING N N 131 
A1LZQ C16 H60 SING N N 132 
A1LZQ C17 H61 SING N N 133 
A1LZQ C17 H62 SING N N 134 
A1LZQ C17 H63 SING N N 135 
A1LZQ C18 H64 SING N N 136 
A1LZQ C18 H65 SING N N 137 
A1LZQ C18 H66 SING N N 138 
A1LZQ C19 H67 SING N N 139 
A1LZQ C19 H68 SING N N 140 
A1LZQ C19 H69 SING N N 141 
A1LZQ C20 H70 SING N N 142 
A1LZQ C20 H71 SING N N 143 
A1LZQ C20 H72 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 
A1LZQ 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;/h13,19,25,27-30,32,34-35,39-40,51H,1,14-18,20-24,26H2,2-12H3,(H-,56,57,58,59,60,62);/q-1;+2/p-1/t32?,34-,35+,39-,40+,51-;/m1./s1" 
A1LZQ InChIKey         InChI                1.06  FQBSMLYJYBYPGF-CZXYOYAHSA-M                                                                                                                                                                                                                                                                                                                                             
A1LZQ 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)OCC=C(C)CCCC(C)CCC=C(C)CCCC(C)C)[C@H](C)[C@H]4C=C"                                                                                                                                                                                                               
A1LZQ 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)CCCC(C)CCC=C(C)CCCC(C)C)[CH](C)[CH]4C=C"                                                                                                                                                                                                                        
A1LZQ SMILES_CANONICAL "OpenEye OEToolkits" 2.0.7 "Cc1c2n3c(c1C(=O)C)C=C4[C@@H]([C@H](C5=[N]4[Mg]36[N]7=C([C@H]([C@@H](C7=C2)C)CCC(=O)OCC=C(C)CCCC(C)CCC=C(C)CCCC(C)C)C8=C9N6C(=C5)C(=C9C(=O)[C@@H]8C(=O)OC)C)C=C)C"                                                                                                                                                                                                      
A1LZQ SMILES           "OpenEye OEToolkits" 2.0.7 "Cc1c2n3c(c1C(=O)C)C=C4C(C(C5=[N]4[Mg]36[N]7=C(C(C(C7=C2)C)CCC(=O)OCC=C(C)CCCC(C)CCC=C(C)CCCC(C)C)C8=C9N6C(=C5)C(=C9C(=O)C8C(=O)OC)C)C=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 
A1LZQ "Create component"    2024-03-27 PDBJ 
A1LZQ "Modify linking type" 2024-05-14 PDBJ 
A1LZQ "Modify formula"      2024-05-14 PDBJ 
A1LZQ "Initial release"     2024-05-22 RCSB 
# 
