data_A1LZP
# 
_chem_comp.id                                    A1LZP 
_chem_comp.name                                  "Trans-Geranyl Bacteriopheophytin B" 
_chem_comp.type                                  non-polymer 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C55 H72 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                        885.183 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     A1LZP 
_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        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 
A1LZP C14 C1  C 0 1 N N N N N N 193.495 158.003 179.326 7.692  -0.937 -0.785 C14 A1LZP 1   
A1LZP C15 C2  C 0 1 N N N N N N 194.886 157.456 179.111 8.048  0.296  0.047  C15 A1LZP 2   
A1LZP C16 C3  C 0 1 N N N N N N 195.522 157.458 180.464 8.726  1.316  -0.831 C16 A1LZP 3   
A1LZP C17 C4  C 0 1 N N N N N N 196.610 156.750 180.734 9.894  1.801  -0.490 C17 A1LZP 4   
A1LZP C18 C5  C 0 1 N N N N N N 197.306 155.902 179.718 10.490 1.459  0.851  C18 A1LZP 5   
A1LZP C19 C6  C 0 1 N N N N N N 197.152 156.848 182.117 10.642 2.702  -1.439 C19 A1LZP 6   
A1LZP C20 C7  C 0 1 N N N N N N 197.957 158.123 182.097 10.344 4.163  -1.098 C20 A1LZP 7   
A1LZP C21 C8  C 0 1 N N N N N N 197.959 158.749 183.464 11.103 5.077  -2.062 C21 A1LZP 8   
A1LZP C22 C9  C 0 1 N N N N N N 197.963 160.239 183.298 10.805 6.538  -1.720 C22 A1LZP 9   
A1LZP C01 C10 C 0 1 N N N N N N 192.819 164.218 184.093 3.151  -5.848 -0.238 C01 A1LZP 10  
A1LZP C02 C11 C 0 1 N N N N N N 191.592 163.778 183.341 4.080  -6.818 0.446  C02 A1LZP 11  
A1LZP C03 C12 C 0 1 N N N N N N 191.583 162.766 182.472 5.377  -6.672 0.336  C03 A1LZP 12  
A1LZP C04 C13 C 0 1 N N N N N N 190.299 162.427 181.786 6.305  -7.565 1.119  C04 A1LZP 13  
A1LZP C05 C14 C 0 1 N N N N N N 192.830 161.980 182.164 5.941  -5.611 -0.573 C05 A1LZP 14  
A1LZP C06 C15 C 0 1 N N N N N N 192.791 161.492 180.722 6.186  -4.330 0.228  C06 A1LZP 15  
A1LZP C07 C16 C 0 1 N N N N N N 192.805 159.974 180.631 6.759  -3.253 -0.695 C07 A1LZP 16  
A1LZP C08 C17 C 0 1 N N S N N N 193.499 159.511 179.363 7.004  -1.973 0.106  C08 A1LZP 17  
A1LZP C09 C18 C 0 1 N N N N N N 192.798 160.043 178.119 5.666  -1.415 0.598  C09 A1LZP 18  
A1LZP C23 C19 C 0 1 N N N N N N 197.919 160.787 184.688 11.362 6.862  -0.332 C23 A1LZP 19  
A1LZP C24 C20 C 0 1 Y N N N N N 191.401 170.048 187.830 -2.858 -1.694 0.566  C24 A1LZP 20  
A1LZP C26 C21 C 0 1 Y N N N N N 187.799 172.144 186.697 -2.473 2.005  2.598  C26 A1LZP 21  
A1LZP C27 C22 C 0 1 Y N N N N N 188.636 175.433 189.456 -5.180 4.005  -0.267 C27 A1LZP 22  
A1LZP C28 C23 C 0 1 Y N N N N N 192.433 173.640 190.348 -5.791 0.337  -2.225 C28 A1LZP 23  
A1LZP C30 C24 C 0 1 N N N N N N 196.743 160.712 182.533 11.463 7.449  -2.759 C30 A1LZP 24  
A1LZP C31 C25 C 0 1 N N R N N N 191.333 168.852 186.939 -1.903 -2.599 1.309  C31 A1LZP 25  
A1LZP C33 C26 C 0 1 Y N N N N N 186.515 172.518 186.077 -2.322 3.133  3.411  C33 A1LZP 26  
A1LZP C34 C27 C 0 1 N N R N N N 188.612 176.692 190.254 -6.001 4.959  -1.123 C34 A1LZP 27  
A1LZP C35 C28 C 0 1 Y N N N N N 193.777 173.187 190.687 -6.017 -0.892 -2.844 C35 A1LZP 28  
A1LZP C37 C29 C 0 1 N N S N N N 190.181 169.179 186.022 -1.278 -1.659 2.363  C37 A1LZP 29  
A1LZP C38 C30 C 0 1 Y N N N N N 186.202 173.742 186.823 -3.064 4.164  2.844  C38 A1LZP 30  
A1LZP C39 C31 C 0 1 N N N N N N 189.995 176.584 190.886 -6.603 4.056  -2.181 C39 A1LZP 31  
A1LZP C40 C32 C 0 1 Y N N N N N 193.758 171.935 189.952 -5.222 -1.842 -2.199 C40 A1LZP 32  
A1LZP C41 C33 C 0 1 Y N N N N N 189.635 170.366 186.714 -1.995 -0.344 2.114  C41 A1LZP 33  
A1LZP C42 C34 C 0 1 Y N N N N N 187.313 173.907 187.771 -3.687 3.642  1.671  C42 A1LZP 34  
A1LZP C43 C35 C 0 1 Y N N N N N 190.567 175.336 190.421 -6.062 2.717  -1.850 C43 A1LZP 35  
A1LZP C44 C36 C 0 1 Y N N N N N 192.593 171.777 189.355 -4.511 -1.175 -1.181 C44 A1LZP 36  
A1LZP C45 C37 C 0 1 N N N N N N 191.177 167.495 187.621 -0.829 -3.144 0.366  C45 A1LZP 37  
A1LZP C46 C38 C 0 1 N N N N N N 185.039 174.663 186.734 -3.183 5.531  3.356  C46 A1LZP 38  
A1LZP C47 C39 C 0 1 N N N N N N 190.586 177.540 191.809 -7.424 4.388  -3.171 C47 A1LZP 39  
A1LZP C48 C40 C 0 1 N N N N N N 194.595 170.783 189.714 -4.863 -3.268 -2.188 C48 A1LZP 40  
A1LZP C49 C41 C 0 1 N N N N N N 191.006 166.350 186.622 0.068  -4.123 1.126  C49 A1LZP 41  
A1LZP C50 C42 C 0 1 N N N N N N 183.650 174.243 186.488 -2.273 6.613  2.835  C50 A1LZP 42  
A1LZP C52 C43 C 0 1 N N N N N N 189.737 178.706 192.077 -7.760 5.836  -3.419 C52 A1LZP 43  
A1LZP C53 C44 C 0 1 N N R N N N 193.897 169.826 188.808 -3.801 -3.421 -1.119 C53 A1LZP 44  
A1LZP C55 C45 C 0 1 N N N N N N 196.145 171.072 185.899 -4.892 -6.613 0.603  C55 A1LZP 45  
A1LZP C56 C46 C 0 1 N N N N N N 192.244 165.932 185.847 1.186  -4.582 0.226  C56 A1LZP 46  
A1LZP C57 C47 C 0 1 N N N N N N 194.621 169.865 187.483 -4.240 -4.426 -0.086 C57 A1LZP 47  
A1LZP C58 C48 C 0 1 Y N N N N N 192.575 170.498 188.628 -3.667 -2.055 -0.496 C58 A1LZP 48  
A1LZP C59 C49 C 0 1 Y N N N N N 188.549 170.964 186.247 -1.808 0.801  2.855  C59 A1LZP 49  
A1LZP C60 C50 C 0 1 Y N N N N N 187.471 175.052 188.669 -4.488 4.423  0.852  C60 A1LZP 50  
A1LZP C61 C51 C 0 1 Y N N N N N 191.895 174.898 190.806 -6.365 1.561  -2.572 C61 A1LZP 51  
A1LZP C62 C52 C 0 1 N N N N N N 190.687 169.669 184.679 -1.557 -2.169 3.778  C62 A1LZP 52  
A1LZP C63 C53 C 0 1 N N N N N N 185.788 171.789 184.999 -1.505 3.216  4.674  C63 A1LZP 53  
A1LZP C64 C54 C 0 1 N N N N N N 188.272 177.727 189.189 -7.099 5.622  -0.290 C64 A1LZP 54  
A1LZP C65 C55 C 0 1 N N N N N N 194.921 173.720 191.480 -6.949 -1.150 -4.000 C65 A1LZP 55  
A1LZP N10 N1  N 0 1 Y N N N N N 190.343 170.703 187.771 -2.819 -0.488 1.096  N10 A1LZP 56  
A1LZP N11 N2  N 0 1 Y N N N N N 188.251 172.976 187.644 -3.324 2.325  1.564  N11 A1LZP 57  
A1LZP N12 N3  N 0 1 Y N N N N N 189.741 174.661 189.550 -5.280 2.802  -0.779 N12 A1LZP 58  
A1LZP N13 N4  N 0 1 Y N N N N N 191.711 172.807 189.567 -4.887 0.151  -1.199 N13 A1LZP 59  
A1LZP O25 O1  O 0 1 N N N N N N 193.139 166.690 185.548 1.259  -4.168 -0.907 O25 A1LZP 60  
A1LZP O29 O2  O 0 1 N N N N N N 194.805 168.877 186.835 -4.382 -4.088 1.065  O29 A1LZP 61  
A1LZP O32 O3  O 0 1 N N N N N N 192.418 164.561 185.414 2.103  -5.450 0.683  O32 A1LZP 62  
A1LZP O36 O4  O 0 1 N N N N N N 195.138 171.075 186.899 -4.472 -5.699 -0.444 O36 A1LZP 63  
A1LZP O51 O5  O 0 1 N N N N N N 185.236 175.814 186.894 -4.015 5.793  4.200  O51 A1LZP 64  
A1LZP O54 O6  O 0 1 N N N N N N 195.819 170.724 190.233 -5.323 -4.143 -2.891 O54 A1LZP 65  
A1LZP H1  H1  H 0 1 N N N N N N 192.846 157.666 178.504 7.018  -0.648 -1.592 H1  A1LZP 66  
A1LZP H2  H2  H 0 1 N N N N N N 193.104 157.622 180.281 8.600  -1.366 -1.207 H2  A1LZP 67  
A1LZP H3  H3  H 0 1 N N N N N N 194.840 156.434 178.708 7.140  0.726  0.469  H3  A1LZP 68  
A1LZP H4  H4  H 0 1 N N N N N N 195.450 158.098 178.419 8.722  0.007  0.854  H4  A1LZP 69  
A1LZP H5  H5  H 0 1 N N N N N N 195.081 158.056 181.248 8.248  1.648  -1.741 H5  A1LZP 70  
A1LZP H6  H6  H 0 1 N N N N N N 198.178 155.416 180.180 11.016 0.507  0.782  H6  A1LZP 71  
A1LZP H7  H7  H 0 1 N N N N N N 196.613 155.133 179.345 11.190 2.240  1.148  H7  A1LZP 72  
A1LZP H8  H8  H 0 1 N N N N N N 197.639 156.533 178.880 9.695  1.382  1.593  H8  A1LZP 73  
A1LZP H9  H9  H 0 1 N N N N N N 196.338 156.910 182.854 11.712 2.518  -1.347 H9  A1LZP 74  
A1LZP H10 H10 H 0 1 N N N N N N 197.792 155.984 182.350 10.325 2.496  -2.462 H10 A1LZP 75  
A1LZP H11 H11 H 0 1 N N N N N N 198.991 157.897 181.798 9.273  4.347  -1.190 H11 A1LZP 76  
A1LZP H12 H12 H 0 1 N N N N N N 197.512 158.824 181.376 10.661 4.369  -0.076 H12 A1LZP 77  
A1LZP H13 H13 H 0 1 N N N N N N 197.060 158.439 184.017 12.174 4.894  -1.969 H13 A1LZP 78  
A1LZP H14 H14 H 0 1 N N N N N N 198.856 158.434 184.016 10.786 4.871  -3.084 H14 A1LZP 79  
A1LZP H15 H15 H 0 1 N N N N N N 198.881 160.565 182.786 9.727  6.700  -1.726 H15 A1LZP 80  
A1LZP H16 H16 H 0 1 N N N N N N 193.552 163.399 184.125 3.713  -4.968 -0.552 H16 A1LZP 81  
A1LZP H17 H17 H 0 1 N N N N N N 193.268 165.092 183.599 2.706  -6.325 -1.112 H17 A1LZP 82  
A1LZP H18 H18 H 0 1 N N N N N N 190.669 164.311 183.514 3.675  -7.634 1.026  H18 A1LZP 83  
A1LZP H19 H19 H 0 1 N N N N N N 189.506 163.104 182.136 6.538  -8.452 0.530  H19 A1LZP 84  
A1LZP H20 H20 H 0 1 N N N N N N 190.423 162.540 180.699 7.225  -7.025 1.344  H20 A1LZP 85  
A1LZP H21 H21 H 0 1 N N N N N N 190.023 161.388 182.018 5.822  -7.864 2.049  H21 A1LZP 86  
A1LZP H22 H22 H 0 1 N N N N N N 192.892 161.115 182.840 6.883  -5.959 -0.998 H22 A1LZP 87  
A1LZP H23 H23 H 0 1 N N N N N N 193.711 162.622 182.308 5.234  -5.407 -1.377 H23 A1LZP 88  
A1LZP H24 H24 H 0 1 N N N N N N 193.669 161.887 180.190 5.245  -3.982 0.653  H24 A1LZP 89  
A1LZP H25 H25 H 0 1 N N N N N N 191.874 161.867 180.245 6.894  -4.534 1.032  H25 A1LZP 90  
A1LZP H26 H26 H 0 1 N N N N N N 191.769 159.604 180.629 7.701  -3.602 -1.119 H26 A1LZP 91  
A1LZP H27 H27 H 0 1 N N N N N N 193.339 159.566 181.502 6.051  -3.049 -1.498 H27 A1LZP 92  
A1LZP H28 H28 H 0 1 N N N N N N 194.539 159.870 179.370 7.641  -2.196 0.962  H28 A1LZP 93  
A1LZP H29 H29 H 0 1 N N N N N N 192.797 161.143 178.140 5.029  -1.192 -0.258 H29 A1LZP 94  
A1LZP H30 H30 H 0 1 N N N N N N 193.329 159.694 177.221 5.176  -2.153 1.233  H30 A1LZP 95  
A1LZP H31 H31 H 0 1 N N N N N N 191.761 159.676 178.097 5.841  -0.503 1.168  H31 A1LZP 96  
A1LZP H32 H32 H 0 1 N N N N N N 198.803 160.445 185.246 11.150 7.903  -0.089 H32 A1LZP 97  
A1LZP H33 H33 H 0 1 N N N N N N 197.913 161.886 184.649 10.893 6.213  0.407  H33 A1LZP 98  
A1LZP H34 H34 H 0 1 N N N N N N 197.008 160.433 185.193 12.440 6.700  -0.327 H34 A1LZP 99  
A1LZP H35 H35 H 0 1 N N N N N N 196.776 161.807 182.429 11.066 7.219  -3.747 H35 A1LZP 100 
A1LZP H36 H36 H 0 1 N N N N N N 196.734 160.249 181.535 11.251 8.491  -2.515 H36 A1LZP 101 
A1LZP H37 H37 H 0 1 N N N N N N 195.833 160.423 183.080 12.541 7.287  -2.753 H37 A1LZP 102 
A1LZP H38 H38 H 0 1 N N N N N N 190.292 167.528 188.273 -1.306 -3.660 -0.468 H38 A1LZP 103 
A1LZP H39 H39 H 0 1 N N N N N N 192.073 167.301 188.229 -0.227 -2.319 -0.015 H39 A1LZP 104 
A1LZP H40 H40 H 0 1 N N N N N N 191.560 177.404 192.256 -7.850 3.619  -3.799 H40 A1LZP 105 
A1LZP H43 H43 H 0 1 N N N N N N 190.243 166.656 185.891 0.486  -3.627 2.002  H43 A1LZP 106 
A1LZP H44 H44 H 0 1 N N N N N N 190.649 165.471 187.179 -0.520 -4.984 1.442  H44 A1LZP 107 
A1LZP H45 H45 H 0 1 N N N N N N 182.993 175.125 186.496 -2.692 7.031  1.919  H45 A1LZP 108 
A1LZP H46 H46 H 0 1 N N N N N N 183.585 173.746 185.509 -2.178 7.400  3.583  H46 A1LZP 109 
A1LZP H47 H47 H 0 1 N N N N N N 183.334 173.544 187.276 -1.290 6.191  2.625  H47 A1LZP 110 
A1LZP H48 H48 H 0 1 N N N N N N 190.249 179.380 192.780 -6.891 6.454  -3.196 H48 A1LZP 111 
A1LZP H49 H49 H 0 1 N N N N N N 189.540 179.240 191.136 -8.042 5.970  -4.463 H49 A1LZP 112 
A1LZP H50 H50 H 0 1 N N N N N N 188.785 178.373 192.516 -8.590 6.131  -2.777 H50 A1LZP 113 
A1LZP H51 H51 H 0 1 N N N N N N 193.816 168.811 189.225 -2.855 -3.727 -1.566 H51 A1LZP 114 
A1LZP H52 H52 H 0 1 N N N N N N 196.377 172.107 185.608 -4.122 -6.661 1.373  H52 A1LZP 115 
A1LZP H53 H53 H 0 1 N N N N N N 197.052 170.590 186.293 -5.824 -6.258 1.043  H53 A1LZP 116 
A1LZP H54 H54 H 0 1 N N N N N N 195.787 170.516 185.020 -5.045 -7.605 0.179  H54 A1LZP 117 
A1LZP H55 H55 H 0 1 N N N N N N 188.136 170.494 185.367 -1.099 0.781  3.683  H55 A1LZP 118 
A1LZP H56 H56 H 0 1 N N N N N N 186.611 175.699 188.760 -4.591 5.483  1.124  H56 A1LZP 119 
A1LZP H57 H57 H 0 1 N N N N N N 192.494 175.526 191.449 -7.053 1.623  -3.406 H57 A1LZP 120 
A1LZP H58 H58 H 0 1 N N N N N N 191.108 168.824 184.115 -2.631 -2.299 3.911  H58 A1LZP 121 
A1LZP H59 H59 H 0 1 N N N N N N 189.854 170.110 184.112 -1.055 -3.125 3.925  H59 A1LZP 122 
A1LZP H60 H60 H 0 1 N N N N N N 191.466 170.429 184.836 -1.185 -1.447 4.504  H60 A1LZP 123 
A1LZP H61 H61 H 0 1 N N N N N N 185.107 171.052 185.449 -0.488 3.523  4.430  H61 A1LZP 124 
A1LZP H62 H62 H 0 1 N N N N N N 185.208 172.505 184.399 -1.952 3.946  5.350  H62 A1LZP 125 
A1LZP H63 H63 H 0 1 N N N N N N 186.513 171.272 184.353 -1.483 2.240  5.158  H63 A1LZP 126 
A1LZP H64 H64 H 0 1 N N N N N N 188.221 178.725 189.650 -6.645 6.242  0.483  H64 A1LZP 127 
A1LZP H65 H65 H 0 1 N N N N N N 189.050 177.722 188.411 -7.720 6.244  -0.936 H65 A1LZP 128 
A1LZP H66 H66 H 0 1 N N N N N N 187.300 177.482 188.737 -7.716 4.854  0.176  H66 A1LZP 129 
A1LZP H67 H67 H 0 1 N N N N N N 195.565 174.331 190.830 -7.433 -0.217 -4.290 H67 A1LZP 130 
A1LZP H68 H68 H 0 1 N N N N N N 194.538 174.340 192.304 -6.382 -1.543 -4.844 H68 A1LZP 131 
A1LZP H69 H69 H 0 1 N N N N N N 195.504 172.883 191.891 -7.706 -1.875 -3.701 H69 A1LZP 132 
A1LZP H73 H73 H 0 1 N N N N N N 192.251 168.821 186.334 -2.441 -3.414 1.791  H73 A1LZP 133 
A1LZP H74 H74 H 0 1 N N N N N N 187.829 176.658 191.026 -5.360 5.713  -1.581 H74 A1LZP 134 
A1LZP H75 H75 H 0 1 N N N N N N 189.458 168.355 185.931 -0.206 -1.552 2.197  H75 A1LZP 135 
A1LZP H41 H41 H 0 1 N N N N N N 189.112 172.910 188.148 -3.619 1.716  0.870  H41 A1LZP 136 
A1LZP H42 H42 H 0 1 N N N N N N 190.775 172.913 189.230 -4.569 0.838  -0.592 H42 A1LZP 137 
# 
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 
A1LZP C09 C08 SING N N 1   
A1LZP C15 C14 SING N N 2   
A1LZP C15 C16 SING N N 3   
A1LZP C14 C08 SING N N 4   
A1LZP C08 C07 SING N N 5   
A1LZP C18 C17 SING N N 6   
A1LZP C16 C17 DOUB N E 7   
A1LZP C07 C06 SING N N 8   
A1LZP C06 C05 SING N N 9   
A1LZP C17 C19 SING N N 10  
A1LZP C04 C03 SING N N 11  
A1LZP C20 C19 SING N N 12  
A1LZP C20 C21 SING N N 13  
A1LZP C05 C03 SING N N 14  
A1LZP C03 C02 DOUB N Z 15  
A1LZP C30 C22 SING N N 16  
A1LZP C22 C21 SING N N 17  
A1LZP C22 C23 SING N N 18  
A1LZP C02 C01 SING N N 19  
A1LZP C01 O32 SING N N 20  
A1LZP C62 C37 SING N N 21  
A1LZP C63 C33 SING N N 22  
A1LZP O32 C56 SING N N 23  
A1LZP O25 C56 DOUB N N 24  
A1LZP C56 C49 SING N N 25  
A1LZP C55 O36 SING N N 26  
A1LZP C37 C41 SING N N 27  
A1LZP C37 C31 SING N N 28  
A1LZP C33 C26 DOUB Y N 29  
A1LZP C33 C38 SING Y N 30  
A1LZP C59 C26 SING Y N 31  
A1LZP C59 C41 DOUB Y N 32  
A1LZP C50 C46 SING N N 33  
A1LZP C49 C45 SING N N 34  
A1LZP C26 N11 SING Y N 35  
A1LZP C41 N10 SING Y N 36  
A1LZP C46 C38 SING N N 37  
A1LZP C46 O51 DOUB N N 38  
A1LZP C38 C42 DOUB Y N 39  
A1LZP O29 C57 DOUB N N 40  
A1LZP O36 C57 SING N N 41  
A1LZP C31 C45 SING N N 42  
A1LZP C31 C24 SING N N 43  
A1LZP C57 C53 SING N N 44  
A1LZP N11 C42 SING Y N 45  
A1LZP N10 C24 DOUB Y N 46  
A1LZP C42 C60 SING Y N 47  
A1LZP C24 C58 SING Y N 48  
A1LZP C58 C53 SING N N 49  
A1LZP C58 C44 DOUB Y N 50  
A1LZP C60 C27 DOUB Y N 51  
A1LZP C53 C48 SING N N 52  
A1LZP C64 C34 SING N N 53  
A1LZP C44 N13 SING Y N 54  
A1LZP C44 C40 SING Y N 55  
A1LZP C27 N12 SING Y N 56  
A1LZP C27 C34 SING N N 57  
A1LZP N12 C43 DOUB Y N 58  
A1LZP N13 C28 SING Y N 59  
A1LZP C48 C40 SING N N 60  
A1LZP C48 O54 DOUB N N 61  
A1LZP C40 C35 DOUB Y N 62  
A1LZP C34 C39 SING N N 63  
A1LZP C28 C35 SING Y N 64  
A1LZP C28 C61 DOUB Y N 65  
A1LZP C43 C61 SING Y N 66  
A1LZP C43 C39 SING N N 67  
A1LZP C35 C65 SING N N 68  
A1LZP C39 C47 DOUB N E 69  
A1LZP C47 C52 SING N N 70  
A1LZP C14 H1  SING N N 71  
A1LZP C14 H2  SING N N 72  
A1LZP C15 H3  SING N N 73  
A1LZP C15 H4  SING N N 74  
A1LZP C16 H5  SING N N 75  
A1LZP C18 H6  SING N N 76  
A1LZP C18 H7  SING N N 77  
A1LZP C18 H8  SING N N 78  
A1LZP C19 H9  SING N N 79  
A1LZP C19 H10 SING N N 80  
A1LZP C20 H11 SING N N 81  
A1LZP C20 H12 SING N N 82  
A1LZP C21 H13 SING N N 83  
A1LZP C21 H14 SING N N 84  
A1LZP C22 H15 SING N N 85  
A1LZP C01 H16 SING N N 86  
A1LZP C01 H17 SING N N 87  
A1LZP C02 H18 SING N N 88  
A1LZP C04 H19 SING N N 89  
A1LZP C04 H20 SING N N 90  
A1LZP C04 H21 SING N N 91  
A1LZP C05 H22 SING N N 92  
A1LZP C05 H23 SING N N 93  
A1LZP C06 H24 SING N N 94  
A1LZP C06 H25 SING N N 95  
A1LZP C07 H26 SING N N 96  
A1LZP C07 H27 SING N N 97  
A1LZP C08 H28 SING N N 98  
A1LZP C09 H29 SING N N 99  
A1LZP C09 H30 SING N N 100 
A1LZP C09 H31 SING N N 101 
A1LZP C23 H32 SING N N 102 
A1LZP C23 H33 SING N N 103 
A1LZP C23 H34 SING N N 104 
A1LZP C30 H35 SING N N 105 
A1LZP C30 H36 SING N N 106 
A1LZP C30 H37 SING N N 107 
A1LZP C45 H38 SING N N 108 
A1LZP C45 H39 SING N N 109 
A1LZP C47 H40 SING N N 110 
A1LZP C49 H43 SING N N 111 
A1LZP C49 H44 SING N N 112 
A1LZP C50 H45 SING N N 113 
A1LZP C50 H46 SING N N 114 
A1LZP C50 H47 SING N N 115 
A1LZP C52 H48 SING N N 116 
A1LZP C52 H49 SING N N 117 
A1LZP C52 H50 SING N N 118 
A1LZP C53 H51 SING N N 119 
A1LZP C55 H52 SING N N 120 
A1LZP C55 H53 SING N N 121 
A1LZP C55 H54 SING N N 122 
A1LZP C59 H55 SING N N 123 
A1LZP C60 H56 SING N N 124 
A1LZP C61 H57 SING N N 125 
A1LZP C62 H58 SING N N 126 
A1LZP C62 H59 SING N N 127 
A1LZP C62 H60 SING N N 128 
A1LZP C63 H61 SING N N 129 
A1LZP C63 H62 SING N N 130 
A1LZP C63 H63 SING N N 131 
A1LZP C64 H64 SING N N 132 
A1LZP C64 H65 SING N N 133 
A1LZP C64 H66 SING N N 134 
A1LZP C65 H67 SING N N 135 
A1LZP C65 H68 SING N N 136 
A1LZP C65 H69 SING N N 137 
A1LZP C31 H73 SING N N 138 
A1LZP C34 H74 SING N N 139 
A1LZP C37 H75 SING N N 140 
A1LZP N11 H41 SING N N 141 
A1LZP N13 H42 SING N N 142 
# 
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 
A1LZP InChI            InChI                1.06  "InChI=1S/C55H72N4O6/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/h13,19,25,27-30,32,34-35,40,51,57,59H,14-18,20-24,26H2,1-12H3/b31-19+,33-25-,39-13+,41-29-,42-27-,43-27-,44-28-,45-28-,46-29-,52-50-/t32-,34?,35?,40?,51-/m1/s1" 
A1LZP InChIKey         InChI                1.06  GITBURVOIOOMIM-KBVICSHCSA-N                                                                                                                                                                                                                                                                                                                                                                        
A1LZP SMILES_CANONICAL CACTVS               3.385 "COC(=O)[C@H]1C(=O)c2c(C)c3[nH]c2c1c4nc(cc5[nH]c(cc6nc(c3)C(=C/C)/[C@H]6C)c(C(C)=O)c5C)[C@@H](C)[C@H]4CCC(=O)OC/C=C(/C)CCC[C@H](C)CC\C=C(/C)CCCC(C)C"                                                                                                                                                                                                                                              
A1LZP SMILES           CACTVS               3.385 "COC(=O)[CH]1C(=O)c2c(C)c3[nH]c2c1c4nc(cc5[nH]c(cc6nc(c3)C(=CC)[CH]6C)c(C(C)=O)c5C)[CH](C)[CH]4CCC(=O)OCC=C(C)CCC[CH](C)CCC=C(C)CCCC(C)C"                                                                                                                                                                                                                                                          
A1LZP SMILES_CANONICAL "OpenEye OEToolkits" 2.0.7 "C/C=C\1/c2/cc\3/c(c4c([nH]3)c(c5n/c(c\c6c(c(c([nH]6)/cc(\n2)/C1C)C(=O)C)C)/C(C5CCC(=O)OC/C=C(/C)\CCC[C@H](C)CC/C=C(\C)/CCCC(C)C)C)[C@H](C4=O)C(=O)OC)C"                                                                                                                                                                                                                                           
A1LZP SMILES           "OpenEye OEToolkits" 2.0.7 "CC=C1c2cc3c(c4c([nH]3)c(c5nc(cc6c(c(c([nH]6)cc(n2)C1C)C(=O)C)C)C(C5CCC(=O)OCC=C(C)CCCC(C)CCC=C(C)CCCC(C)C)C)C(C4=O)C(=O)OC)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 
A1LZP "Create component" 2024-03-27 PDBJ 
A1LZP "Initial release"  2024-05-22 RCSB 
# 
