data_LYX # _chem_comp.id LYX _chem_comp.name ;N''-(2-COENZYME A)-PROPANOYL-LYSINE ; _chem_comp.type "L-PEPTIDE LINKING" _chem_comp.pdbx_type ATOMP _chem_comp.formula "C30 H52 N9 O19 P3 S" _chem_comp.mon_nstd_parent_comp_id LYS _chem_comp.pdbx_synonyms ? _chem_comp.pdbx_formal_charge 0 _chem_comp.pdbx_initial_date 2002-07-22 _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 967.769 _chem_comp.one_letter_code K _chem_comp.three_letter_code LYX _chem_comp.pdbx_model_coordinates_details ? _chem_comp.pdbx_model_coordinates_missing_flag Y _chem_comp.pdbx_ideal_coordinates_details ? _chem_comp.pdbx_ideal_coordinates_missing_flag N _chem_comp.pdbx_model_coordinates_db_code 1M1D _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 LYX O1 O1 O 0 1 N N N 6.126 43.045 9.803 2.094 -6.645 -0.476 O1 LYX 1 LYX P2 P2 P 0 1 N N S 7.082 42.129 9.149 1.834 -5.506 -1.419 P2 LYX 2 LYX O3 O3 O 0 1 N N N 7.018 40.761 9.760 1.514 -4.100 -0.688 O3 LYX 3 LYX P4 P4 P 0 1 N N R 7.227 40.234 11.277 2.395 -3.212 0.336 P4 LYX 4 LYX O5 O5 O 0 1 N N N 7.081 38.627 11.012 1.365 -2.049 0.777 O5 LYX 5 LYX C6 C6 C 0 1 N N N 5.933 38.006 10.423 0.101 -2.432 1.307 C6 LYX 6 LYX C7 C7 C 0 1 N N N 5.566 36.664 11.206 -0.749 -1.191 1.673 C7 LYX 7 LYX C8 C8 C 0 1 N N N 4.306 36.006 10.526 0.006 -0.369 2.745 C8 LYX 8 LYX C9 C9 C 0 1 N N N 6.774 35.687 11.101 -0.918 -0.291 0.433 C9 LYX 9 LYX C10 C10 C 0 1 N N R 5.227 37.115 12.754 -2.133 -1.609 2.253 C10 LYX 10 LYX O11 O11 O 0 1 N N N 4.107 38.030 12.786 -2.890 -0.444 2.574 O11 LYX 11 LYX C12 C12 C 0 1 N N N 4.856 35.915 13.658 -2.992 -2.432 1.296 C12 LYX 12 LYX N13 N13 N 0 1 N N N 3.608 35.482 13.601 -2.815 -3.797 1.456 N13 LYX 13 LYX C14 C14 C 0 1 N N N 3.054 34.330 14.356 -3.500 -4.779 0.648 C14 LYX 14 LYX C15 C15 C 0 1 N N N 3.600 32.980 13.971 -2.669 -5.101 -0.587 C15 LYX 15 LYX C16 C16 C 0 1 N N N 3.369 32.646 12.532 -3.341 -6.119 -1.490 C16 LYX 16 LYX N17 N17 N 0 1 N N N 4.489 32.409 11.902 -2.568 -6.398 -2.608 N17 LYX 17 LYX C18 C18 C 0 1 N N N 4.584 32.026 10.439 -2.975 -7.335 -3.629 C18 LYX 18 LYX C19 C19 C 0 1 N N N 5.403 30.719 10.352 -2.507 -8.758 -3.352 C19 LYX 19 LYX S20 S20 S 0 1 N N N 5.056 29.621 8.868 -0.694 -8.885 -3.290 S20 LYX 20 LYX C21 C21 C 0 1 N N S 5.988 28.179 9.049 -0.570 -10.656 -2.955 C21 LYX 21 LYX C22 C22 C 0 1 N N N 7.512 28.543 9.002 0.895 -11.067 -2.895 C22 LYX 22 LYX C23 C23 C 0 1 N N N 5.570 27.519 10.345 -1.286 -10.933 -1.641 C23 LYX 23 LYX NZ NZ N 0 1 N N N 4.313 27.200 10.462 -2.643 -11.167 -1.815 NZ LYX 24 LYX CE CE C 0 1 N N N 3.802 25.866 10.257 -3.535 -11.434 -0.711 CE LYX 25 LYX CD CD C 0 1 N N N 2.400 25.886 9.904 -3.632 -12.930 -0.404 CD LYX 26 LYX CG CG C 0 1 N N N 1.602 26.124 11.044 -4.192 -13.746 -1.575 CG LYX 27 LYX CB CB C 0 1 N N N 0.376 25.509 10.657 -4.347 -15.238 -1.254 CB LYX 28 LYX CA CA C 0 1 N N S -0.356 25.463 11.911 -4.852 -16.092 -2.418 CA LYX 29 LYX N N N 0 1 N N N -0.851 24.159 12.294 -4.009 -15.991 -3.581 N LYX 30 LYX C C C 0 1 N N N -1.358 26.445 11.894 -6.232 -15.630 -2.845 C LYX 31 LYX O O O 0 1 N N N -1.594 27.179 10.911 -6.512 -15.157 -3.939 O LYX 32 LYX O33 O33 O 0 1 N N N 6.344 27.262 11.242 -0.708 -10.928 -0.556 O33 LYX 33 LYX O34 O34 O 0 1 N N N 2.204 32.572 11.988 -4.433 -6.622 -1.241 O34 LYX 34 LYX O35 O35 O 0 1 N N N 5.813 35.349 14.409 -3.736 -1.911 0.467 O35 LYX 35 LYX O36 O36 O 0 1 N N N 6.112 40.689 12.151 3.711 -2.746 -0.215 O36 LYX 36 LYX O37 O37 O 0 1 N N N 8.529 40.598 11.915 2.498 -4.159 1.643 O37 LYX 37 LYX O38 O38 O 0 1 N N N 8.519 42.526 9.229 0.556 -5.719 -2.387 O38 LYX 38 LYX O39 O39 O 0 1 N N N 6.698 41.782 7.615 3.053 -5.170 -2.429 O39 LYX 39 LYX C40 C40 C 0 1 N N N 6.618 42.836 6.610 2.927 -4.115 -3.366 C40 LYX 40 LYX C41 C41 C 0 1 N N R 5.162 42.903 6.108 4.205 -4.019 -4.179 C41 LYX 41 LYX C42 C42 C 0 1 N N S 4.199 43.724 6.940 4.175 -2.922 -5.229 C42 LYX 42 LYX O43 O43 O 0 1 N N N 3.452 44.804 6.429 4.458 -1.653 -4.680 O43 LYX 43 LYX P44 P44 P 0 1 N N N 4.002 45.715 5.098 4.579 -0.397 -5.686 P44 LYX 44 LYX O45 O45 O 0 1 N N N 5.354 46.427 5.564 5.652 -0.516 -6.729 O45 LYX 45 LYX O46 O46 O 0 1 N N N 2.913 46.845 4.777 4.712 0.878 -4.700 O46 LYX 46 LYX O47 O47 O 0 1 N N N 4.265 44.808 3.825 3.075 -0.264 -6.266 O47 LYX 47 LYX C48 C48 C 0 1 N N R 3.006 43.161 7.298 5.218 -3.397 -6.222 C48 LYX 48 LYX O49 O49 O 0 1 N N N 1.641 43.573 7.166 6.530 -3.010 -5.818 O49 LYX 49 LYX C50 C50 C 0 1 N N R 3.018 41.736 6.688 5.095 -4.920 -6.142 C50 LYX 50 LYX N51 N51 N 0 1 Y N N 2.621 40.641 7.634 4.376 -5.510 -7.272 N51 LYX 51 LYX C52 C52 C 0 1 Y N N 3.195 40.271 8.858 4.940 -6.005 -8.419 C52 LYX 52 LYX N53 N53 N 0 1 Y N N 2.565 39.223 9.453 4.037 -6.472 -9.256 N53 LYX 53 LYX C54 C54 C 0 1 Y N N 1.562 38.913 8.594 2.835 -6.271 -8.625 C54 LYX 54 LYX C55 C55 C 0 1 Y N N 1.549 39.783 7.428 3.024 -5.674 -7.389 C55 LYX 55 LYX N56 N56 N 0 1 Y N N 0.676 39.759 6.347 2.079 -5.332 -6.500 N56 LYX 56 LYX C57 C57 C 0 1 Y N N -0.289 38.798 6.413 0.853 -5.652 -6.967 C57 LYX 57 LYX N58 N58 N 0 1 Y N N -0.420 37.867 7.477 0.517 -6.233 -8.144 N58 LYX 58 LYX C59 C59 C 0 1 Y N N 0.457 37.860 8.601 1.523 -6.551 -8.994 C59 LYX 59 LYX N60 N60 N 0 1 N N N 0.319 37.005 9.566 1.239 -7.156 -10.231 N60 LYX 60 LYX O61 O61 O 0 1 N N N 4.416 41.575 6.053 4.407 -5.238 -4.914 O61 LYX 61 LYX OXT OXT O 0 1 N Y N ? ? ? -7.141 -15.752 -1.841 OXT LYX 62 LYX H61 1H6 H 0 1 N N N 6.072 37.826 9.331 -0.401 -3.042 0.549 H61 LYX 63 LYX H62 2H6 H 0 1 N N N 5.066 38.705 10.366 0.283 -3.059 2.187 H62 LYX 64 LYX H81 1H8 H 0 1 N N N 4.452 35.835 9.434 -0.590 0.492 3.070 H81 LYX 65 LYX H82 2H8 H 0 1 N N N 4.050 35.069 11.073 0.957 0.019 2.362 H82 LYX 66 LYX H83 3H8 H 0 1 N N N 3.443 36.709 10.459 0.231 -0.973 3.630 H83 LYX 67 LYX H91 1H9 H 0 1 N N N 7.727 36.144 11.457 0.042 0.125 0.105 H91 LYX 68 LYX H92 2H9 H 0 1 N N N 6.518 34.750 11.648 -1.583 0.554 0.647 H92 LYX 69 LYX H93 3H9 H 0 1 N N N 7.081 35.497 10.046 -1.334 -0.846 -0.414 H93 LYX 70 LYX H10 H10 H 0 1 N N N 6.158 37.595 13.138 -1.993 -2.169 3.186 H10 LYX 71 LYX H11 H11 H 0 1 N N N 3.912 38.290 13.679 -3.268 -0.123 1.742 H11 LYX 72 LYX H13 H13 H 0 1 N N N 3.058 36.052 12.958 -2.157 -4.137 2.150 H13 LYX 73 LYX H141 1H14 H 0 0 N N N 1.941 34.326 14.285 -3.670 -5.683 1.243 H141 LYX 74 LYX H142 2H14 H 0 0 N N N 3.181 34.495 15.451 -4.482 -4.390 0.359 H142 LYX 75 LYX H151 1H15 H 0 0 N N N 3.194 32.182 14.635 -1.690 -5.497 -0.288 H151 LYX 76 LYX H152 2H15 H 0 0 N N N 4.682 32.899 14.230 -2.490 -4.188 -1.168 H152 LYX 77 LYX H17 H17 H 0 1 N N N 5.276 32.521 12.541 -1.677 -5.922 -2.714 H17 LYX 78 LYX H181 1H18 H 0 0 N N N 4.999 32.842 9.803 -4.070 -7.312 -3.655 H181 LYX 79 LYX H182 2H18 H 0 0 N N N 3.588 31.948 9.945 -2.610 -6.965 -4.593 H182 LYX 80 LYX H191 1H19 H 0 0 N N N 5.279 30.133 11.292 -2.913 -9.124 -2.403 H191 LYX 81 LYX H192 2H19 H 0 0 N N N 6.492 30.952 10.402 -2.859 -9.420 -4.149 H192 LYX 82 LYX H211 1H21 H 0 0 N N N 5.809 27.454 8.221 -1.063 -11.200 -3.768 H211 LYX 83 LYX H221 1H22 H 0 0 N N N 7.785 29.321 9.753 1.445 -10.532 -2.112 H221 LYX 84 LYX H222 2H22 H 0 0 N N N 8.114 27.612 9.119 0.980 -12.137 -2.671 H222 LYX 85 LYX H223 3H22 H 0 0 N N N 7.784 29.111 8.082 1.398 -10.890 -3.852 H223 LYX 86 LYX HZ HZ H 0 1 N N N 3.728 27.996 10.715 -3.045 -11.107 -2.745 HZ LYX 87 LYX HE3 1HE H 0 1 N N N 3.991 25.216 11.143 -4.528 -11.034 -0.944 HE3 LYX 88 LYX HE2 2HE H 0 1 N N N 4.405 25.309 9.503 -3.171 -10.908 0.178 HE2 LYX 89 LYX HD3 1HD H 0 1 N N N 2.094 24.955 9.373 -2.642 -13.305 -0.121 HD3 LYX 90 LYX HD2 2HD H 0 1 N N N 2.189 26.620 9.091 -4.283 -13.062 0.470 HD2 LYX 91 LYX HG3 1HG H 0 1 N N N 1.523 27.191 11.358 -5.180 -13.353 -1.842 HG3 LYX 92 LYX HG2 2HG H 0 1 N N N 2.031 25.769 12.010 -3.557 -13.623 -2.460 HG2 LYX 93 LYX HB3 1HB H 0 1 N N N 0.485 24.527 10.140 -5.038 -15.333 -0.405 HB3 LYX 94 LYX HB2 2HB H 0 1 N N N -0.159 26.013 9.819 -3.384 -15.629 -0.903 HB2 LYX 95 LYX HA HA H 0 1 N N N 0.377 25.688 12.721 -4.896 -17.155 -2.163 HA LYX 96 LYX H H H 0 1 N N N -0.085 23.486 12.312 -4.436 -15.883 -4.486 H LYX 97 LYX H2 HN2 H 0 1 N Y N -1.365 24.127 13.175 -3.035 -16.231 -3.502 H2 LYX 98 LYX H37 H37 H 0 1 N N N 8.652 40.289 12.805 3.069 -3.878 2.390 H37 LYX 99 LYX H38 H38 H 0 1 N N N 9.134 41.937 8.808 0.446 -6.580 -2.845 H38 LYX 100 LYX H401 1H40 H 0 0 N N N 7.354 42.701 5.783 2.072 -4.322 -4.018 H401 LYX 101 LYX H402 2H40 H 0 0 N N N 6.992 43.818 6.983 2.746 -3.181 -2.825 H402 LYX 102 LYX H41 H41 H 0 1 N N N 5.378 43.347 5.108 5.049 -3.888 -3.492 H41 LYX 103 LYX H42 H42 H 0 1 N N N 5.035 43.928 7.649 3.193 -2.889 -5.716 H42 LYX 104 LYX H46 H46 H 0 1 N N N 3.220 47.353 4.035 4.863 1.765 -5.090 H46 LYX 105 LYX H47 H47 H 0 1 N N N 4.572 45.316 3.083 2.898 0.382 -6.983 H47 LYX 106 LYX H48 H48 H 0 1 N N N 3.110 43.474 8.363 5.061 -2.990 -7.226 H48 LYX 107 LYX H49 H49 H 0 1 N N N 0.812 43.182 7.415 6.646 -3.300 -4.896 H49 LYX 108 LYX H50 H50 H 0 1 N N N 2.220 41.629 5.916 6.069 -5.420 -6.129 H50 LYX 109 LYX H52 H52 H 0 1 N N N 4.070 40.764 9.315 6.008 -5.997 -8.586 H52 LYX 110 LYX H57 H57 H 0 1 N N N -0.996 38.773 5.567 0.023 -5.409 -6.312 H57 LYX 111 LYX H601 1H60 H 0 0 N N N 0.250 37.531 10.437 1.430 -6.657 -11.079 H601 LYX 112 LYX H602 2H60 H 0 0 N N N -0.419 36.301 9.571 0.763 -8.038 -10.250 H602 LYX 113 LYX HXT HXT H 0 1 N Y N -0.678 0.665 -0.011 -8.044 -15.433 -2.054 HXT LYX 114 # 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 LYX O1 P2 DOUB N N 1 LYX P2 O3 SING N N 2 LYX P2 O38 SING N N 3 LYX P2 O39 SING N N 4 LYX O3 P4 SING N N 5 LYX P4 O5 SING N N 6 LYX P4 O36 DOUB N N 7 LYX P4 O37 SING N N 8 LYX O5 C6 SING N N 9 LYX C6 C7 SING N N 10 LYX C6 H61 SING N N 11 LYX C6 H62 SING N N 12 LYX C7 C8 SING N N 13 LYX C7 C9 SING N N 14 LYX C7 C10 SING N N 15 LYX C8 H81 SING N N 16 LYX C8 H82 SING N N 17 LYX C8 H83 SING N N 18 LYX C9 H91 SING N N 19 LYX C9 H92 SING N N 20 LYX C9 H93 SING N N 21 LYX C10 O11 SING N N 22 LYX C10 C12 SING N N 23 LYX C10 H10 SING N N 24 LYX O11 H11 SING N N 25 LYX C12 N13 SING N N 26 LYX C12 O35 DOUB N N 27 LYX N13 C14 SING N N 28 LYX N13 H13 SING N N 29 LYX C14 C15 SING N N 30 LYX C14 H141 SING N N 31 LYX C14 H142 SING N N 32 LYX C15 C16 SING N N 33 LYX C15 H151 SING N N 34 LYX C15 H152 SING N N 35 LYX C16 N17 SING N N 36 LYX C16 O34 DOUB N N 37 LYX N17 C18 SING N N 38 LYX N17 H17 SING N N 39 LYX C18 C19 SING N N 40 LYX C18 H181 SING N N 41 LYX C18 H182 SING N N 42 LYX C19 S20 SING N N 43 LYX C19 H191 SING N N 44 LYX C19 H192 SING N N 45 LYX S20 C21 SING N N 46 LYX C21 C22 SING N N 47 LYX C21 C23 SING N N 48 LYX C21 H211 SING N N 49 LYX C22 H221 SING N N 50 LYX C22 H222 SING N N 51 LYX C22 H223 SING N N 52 LYX C23 NZ SING N N 53 LYX C23 O33 DOUB N N 54 LYX NZ CE SING N N 55 LYX NZ HZ SING N N 56 LYX CE CD SING N N 57 LYX CE HE3 SING N N 58 LYX CE HE2 SING N N 59 LYX CD CG SING N N 60 LYX CD HD3 SING N N 61 LYX CD HD2 SING N N 62 LYX CG CB SING N N 63 LYX CG HG3 SING N N 64 LYX CG HG2 SING N N 65 LYX CB CA SING N N 66 LYX CB HB3 SING N N 67 LYX CB HB2 SING N N 68 LYX CA N SING N N 69 LYX CA C SING N N 70 LYX CA HA SING N N 71 LYX N H SING N N 72 LYX N H2 SING N N 73 LYX C O DOUB N N 74 LYX C OXT SING N N 75 LYX O37 H37 SING N N 76 LYX O38 H38 SING N N 77 LYX O39 C40 SING N N 78 LYX C40 C41 SING N N 79 LYX C40 H401 SING N N 80 LYX C40 H402 SING N N 81 LYX C41 C42 SING N N 82 LYX C41 O61 SING N N 83 LYX C41 H41 SING N N 84 LYX C42 O43 SING N N 85 LYX C42 C48 SING N N 86 LYX C42 H42 SING N N 87 LYX O43 P44 SING N N 88 LYX P44 O45 DOUB N N 89 LYX P44 O46 SING N N 90 LYX P44 O47 SING N N 91 LYX O46 H46 SING N N 92 LYX O47 H47 SING N N 93 LYX C48 O49 SING N N 94 LYX C48 C50 SING N N 95 LYX C48 H48 SING N N 96 LYX O49 H49 SING N N 97 LYX C50 N51 SING N N 98 LYX C50 O61 SING N N 99 LYX C50 H50 SING N N 100 LYX N51 C52 SING Y N 101 LYX N51 C55 SING Y N 102 LYX C52 N53 DOUB Y N 103 LYX C52 H52 SING N N 104 LYX N53 C54 SING Y N 105 LYX C54 C55 DOUB Y N 106 LYX C54 C59 SING Y N 107 LYX C55 N56 SING Y N 108 LYX N56 C57 DOUB Y N 109 LYX C57 N58 SING Y N 110 LYX C57 H57 SING N N 111 LYX N58 C59 DOUB Y N 112 LYX C59 N60 SING N N 113 LYX N60 H601 SING N N 114 LYX N60 H602 SING N N 115 LYX OXT HXT SING N N 116 # 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 LYX SMILES ACDLabs 10.04 "O=C(O)C(N)CCCCNC(=O)C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O)C" LYX SMILES_CANONICAL CACTVS 3.341 "C[C@H](SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)C(=O)NCCCC[C@H](N)C(O)=O" LYX SMILES CACTVS 3.341 "C[CH](SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)C(=O)NCCCC[CH](N)C(O)=O" LYX SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 "C[C@@H](C(=O)NCCCC[C@@H](C(=O)O)N)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O" LYX SMILES "OpenEye OEToolkits" 1.5.0 "CC(C(=O)NCCCCC(C(=O)O)N)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O" LYX InChI InChI 1.03 ;InChI=1S/C30H52N9O19P3S/c1-16(26(43)34-8-5-4-6-17(31)29(45)46)62-11-10-33-19(40)7-9-35-27(44)23(42)30(2,3)13-55-61(52,53)58-60(50,51)54-12-18-22(57-59(47,48)49)21(41)28(56-18)39-15-38-20-24(32)36-14-37-25(20)39/h14-18,21-23,28,41-42H,4-13,31H2,1-3H3,(H,33,40)(H,34,43)(H,35,44)(H,45,46)(H,50,51)(H,52,53)(H2,32,36,37)(H2,47,48,49)/t16-,17-,18+,21+,22+,23-,28+/m0/s1 ; LYX InChIKey InChI 1.03 RFJAZFUCRKBHCW-NFOKXICTSA-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 LYX "SYSTEMATIC NAME" ACDLabs 10.04 ;(3S,5R,9R,19S,26S)-26-amino-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8,19-trimethyl-10,14,20-trioxo-2,4,6-trioxa-18-thia-11,15,21-triaza-3,5-diphosphaheptacosan-27-oic acid 3,5-dioxide (non-preferred name) ; LYX "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 ;(2S)-2-amino-6-[[(2S)-2-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethylsulfanyl]propanoyl]amino]hexanoic acid ; # loop_ _pdbx_chem_comp_audit.comp_id _pdbx_chem_comp_audit.action_type _pdbx_chem_comp_audit.date _pdbx_chem_comp_audit.processing_site LYX "Create component" 2002-07-22 RCSB LYX "Modify descriptor" 2011-06-04 RCSB #