data_1CV # _chem_comp.id 1CV _chem_comp.name "(3R,5R,9R,19R,21S)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9,21-tetrahydroxy-8,8,21-trimethyl-10,14-dioxo-19-sulfanyl-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphatricosan-23-oic acid 3,5-dioxide" _chem_comp.type NON-POLYMER _chem_comp.pdbx_type HETAIN _chem_comp.formula "C27 H46 N7 O19 P3 S2" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms ? _chem_comp.pdbx_formal_charge 0 _chem_comp.pdbx_initial_date 2012-12-07 _chem_comp.pdbx_modified_date 2013-07-12 _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 929.741 _chem_comp.one_letter_code ? _chem_comp.three_letter_code 1CV _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 4I4B _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 1CV C1 C1 C 0 1 N N R 82.790 126.776 107.474 10.764 -1.520 0.448 C1 1CV 1 1CV C2 C2 C 0 1 N N N 83.200 125.398 108.108 11.804 -2.076 1.423 C2 1CV 2 1CV S2 S2 S 0 1 N N N 83.299 128.037 108.567 11.582 -1.040 -1.099 S2 1CV 3 1CV C3 C3 C 0 1 N N S 84.208 124.596 107.208 12.393 -3.370 0.858 C3 1CV 4 1CV O3 O3 O 0 1 N N N 86.488 123.160 106.366 13.609 -5.639 0.224 O3 1CV 5 1CV C4 C4 C 0 1 N N N 84.815 123.510 108.061 13.340 -3.991 1.887 C4 1CV 6 1CV O4 O4 O 0 1 N N N 85.808 121.407 107.482 14.783 -5.986 2.064 O4 1CV 7 1CV C5 C5 C 0 1 N N N 85.808 122.611 107.261 13.920 -5.266 1.331 C5 1CV 8 1CV C6 C6 C 0 1 N N N 83.557 124.089 105.917 11.262 -4.352 0.547 C6 1CV 9 1CV O7 O7 O 0 1 N N N 85.221 125.550 106.832 13.116 -3.081 -0.340 O7 1CV 10 1CV "C1'" C1* C 0 1 N N R 68.421 121.419 109.267 -7.168 -2.502 -0.657 C1* 1CV 11 1CV C10 C10 C 0 1 N N R 73.350 122.060 104.644 1.222 6.198 -2.573 C10 1CV 12 1CV O10 O10 O 0 1 N N N 73.715 122.698 103.437 0.697 7.502 -2.316 O10 1CV 13 1CV C11 C11 C 0 1 N N N 72.325 123.016 105.349 0.116 5.157 -2.385 C11 1CV 14 1CV C12 C12 C 0 1 N N N 71.157 123.221 104.393 -0.391 5.205 -0.942 C12 1CV 15 1CV C13 C13 C 0 1 N N N 72.851 124.455 105.637 -1.039 5.462 -3.342 C13 1CV 16 1CV C14 C14 C 0 1 N N N 71.784 122.347 106.585 0.671 3.763 -2.685 C14 1CV 17 1CV N1A N1A N 0 1 Y N N 67.517 126.335 110.195 -7.269 -7.134 -3.006 N1A 1CV 18 1CV O1A O1A O 0 1 N N N 66.765 119.207 103.778 -4.608 2.704 2.587 O1A 1CV 19 1CV P1A P1A P 0 1 N N N 67.217 120.568 104.194 -3.981 1.839 1.562 P1A 1CV 20 1CV S1P S1P S 0 1 N N N 80.962 126.846 107.086 9.960 -0.070 1.183 S1P 1CV 21 1CV "C2'" C2* C 0 1 N N R 67.110 120.843 109.662 -7.938 -2.724 0.670 C2* 1CV 22 1CV "O2'" O2* O 0 1 N N N 67.363 119.978 110.742 -9.210 -3.326 0.428 O2* 1CV 23 1CV C2A C2A C 0 1 Y N N 67.540 125.313 111.075 -8.247 -6.256 -2.870 C2A 1CV 24 1CV O2A O2A O 0 1 N N N 66.580 121.874 103.799 -2.951 0.826 2.273 O2A 1CV 25 1CV P2A P2A P 0 1 N N N 69.734 121.500 102.878 -2.186 4.007 0.632 P2A 1CV 26 1CV C2P C2P C 0 1 N N N 80.293 126.628 108.712 8.679 0.345 -0.033 C2P 1CV 27 1CV "C3'" C3* C 0 1 N N S 66.673 120.160 108.358 -8.102 -1.276 1.195 C3* 1CV 28 1CV "O3'" O3* O 0 1 N N N 65.806 119.137 108.713 -9.394 -0.767 0.860 O3* 1CV 29 1CV "P3'" P3* P 0 1 N N N 64.221 119.258 108.268 -10.447 -0.253 1.965 P3* 1CV 30 1CV N3A N3A N 0 1 Y N N 67.788 124.014 110.663 -8.083 -5.109 -2.245 N3A 1CV 31 1CV O3A O3A O 0 1 N N N 68.732 120.516 103.572 -3.188 2.753 0.501 O3A 1CV 32 1CV C3P C3P C 0 1 N N N 79.608 125.274 109.093 7.897 1.570 0.449 C3P 1CV 33 1CV "C4'" C4* C 0 1 N N R 68.031 119.509 107.892 -7.003 -0.482 0.463 C4* 1CV 34 1CV "O4'" O4* O 0 1 N N N 68.949 120.584 108.158 -6.270 -1.415 -0.348 O4* 1CV 35 1CV C4A C4A C 0 1 Y N N 68.027 123.878 109.359 -6.907 -4.786 -1.717 C4A 1CV 36 1CV O4A O4A O 0 1 N N N 70.772 120.614 102.127 -3.027 5.328 1.005 O4A 1CV 37 1CV N4P N4P N 0 1 N N N 78.502 125.041 108.100 6.862 1.905 -0.533 N4P 1CV 38 1CV "C5'" C5* C 0 1 N N N 68.054 119.263 106.408 -6.066 0.170 1.482 C5* 1CV 39 1CV "O5'" O5* O 0 1 N N N 67.439 120.357 105.709 -5.122 0.998 0.800 O5* 1CV 40 1CV C5A C5A C 0 1 Y N N 67.953 124.880 108.417 -5.835 -5.687 -1.835 C5A 1CV 41 1CV O5A O5A O 0 1 N N N 69.229 122.729 102.123 -1.194 3.736 1.696 O5A 1CV 42 1CV C5P C5P C 0 1 N N N 78.355 123.945 107.412 6.046 2.956 -0.319 C5P 1CV 43 1CV O5P O5P O 0 1 N N N 79.133 122.952 107.571 6.167 3.623 0.687 O5P 1CV 44 1CV C6A C6A C 0 1 Y N N 67.730 126.194 108.867 -6.059 -6.898 -2.511 C6A 1CV 45 1CV N6A N6A N 0 1 N N N 67.676 127.305 108.091 -5.041 -7.825 -2.659 N6A 1CV 46 1CV O6A O6A O 0 1 N N N 70.547 121.952 104.219 -1.423 4.233 -0.767 O6A 1CV 47 1CV C6P C6P C 0 1 N N N 77.105 123.931 106.543 4.981 3.301 -1.328 C6P 1CV 48 1CV N7A N7A N 0 1 Y N N 68.235 124.376 107.155 -4.769 -5.121 -1.221 N7A 1CV 49 1CV O7A O7A O 0 1 N N N 64.067 118.473 106.934 -10.682 -1.324 2.959 O7A 1CV 50 1CV C7P C7P C 0 1 N N N 76.914 122.495 105.953 4.200 4.525 -0.847 C7P 1CV 51 1CV C8A C8A C 0 1 Y N N 68.380 123.057 107.410 -5.109 -3.958 -0.745 C8A 1CV 52 1CV O8A O8A O 0 1 N N N 63.682 118.586 109.529 -9.855 1.048 2.706 O8A 1CV 53 1CV N8P N8P N 0 1 N N N 75.716 122.531 105.085 3.165 4.861 -1.828 N8P 1CV 54 1CV N9A N9A N 0 1 Y N N 68.268 122.717 108.691 -6.419 -3.706 -1.026 N9A 1CV 55 1CV O9A O9A O 0 1 N N N 63.793 120.655 108.082 -11.837 0.126 1.246 O9A 1CV 56 1CV C9P C9P C 0 1 N N N 74.605 121.844 105.462 2.349 5.911 -1.614 C9P 1CV 57 1CV O9P O9P O 0 1 N N N 74.567 121.120 106.471 2.520 6.626 -0.650 O9P 1CV 58 1CV H1 H1 H 0 1 N N N 83.320 126.922 106.521 10.015 -2.285 0.241 H1 1CV 59 1CV H2 H2 H 0 1 N N N 83.671 125.585 109.084 12.599 -1.344 1.562 H2 1CV 60 1CV H2A H2A H 0 1 N N N 82.293 124.791 108.249 11.328 -2.282 2.382 H2A 1CV 61 1CV HS2 HS2 H 0 1 N N N 84.570 127.794 108.687 12.464 -0.108 -0.697 HS2 1CV 62 1CV H4 H4 H 0 1 N N N 85.357 123.978 108.896 14.145 -3.291 2.109 H4 1CV 63 1CV H4A H4A H 0 1 N N N 84.006 122.878 108.457 12.788 -4.212 2.801 H4A 1CV 64 1CV HO4 HO4 H 0 1 N N N 86.396 120.973 106.875 15.129 -6.796 1.664 HO4 1CV 65 1CV H6 H6 H 0 1 N N N 84.300 123.536 105.324 10.588 -3.910 -0.186 H6 1CV 66 1CV H6A H6A H 0 1 N N N 82.718 123.423 106.167 11.682 -5.274 0.145 H6A 1CV 67 1CV H6B H6B H 0 1 N N N 83.185 124.944 105.334 10.711 -4.573 1.461 H6B 1CV 68 1CV HO7 HO7 H 0 1 N N N 86.000 125.089 106.544 13.849 -2.463 -0.218 HO7 1CV 69 1CV "H1'" H1* H 0 1 N N N 69.118 121.429 110.118 -7.854 -2.219 -1.455 H1* 1CV 70 1CV H10 H10 H 0 1 N N N 72.863 121.093 104.450 1.595 6.151 -3.596 H10 1CV 71 1CV HO10 HO10 H 0 0 N N N 74.339 122.156 102.968 0.347 7.615 -1.421 HO10 1CV 72 1CV H12 H12 H 0 1 N N N 70.436 123.933 104.822 0.432 4.988 -0.261 H12 1CV 73 1CV H12A H12A H 0 0 N N N 71.520 123.603 103.427 -0.786 6.198 -0.729 H12A 1CV 74 1CV H13 H13 H 0 1 N N N 72.062 125.043 106.130 -0.691 5.374 -4.371 H13 1CV 75 1CV H13A H13A H 0 0 N N N 73.731 124.399 106.295 -1.849 4.754 -3.170 H13A 1CV 76 1CV H13B H13B H 0 0 N N N 73.131 124.939 104.690 -1.398 6.476 -3.165 H13B 1CV 77 1CV H14 H14 H 0 1 N N N 71.065 123.016 107.080 1.403 3.492 -1.923 H14 1CV 78 1CV H14A H14A H 0 0 N N N 71.279 121.411 106.304 -0.143 3.039 -2.680 H14A 1CV 79 1CV H14B H14B H 0 0 N N N 72.612 122.125 107.274 1.150 3.765 -3.664 H14B 1CV 80 1CV "H2'" H2* H 0 1 N N N 66.398 121.638 109.929 -7.351 -3.325 1.365 H2* 1CV 81 1CV "HO2'" HO2* H 0 0 N N N 66.548 119.584 111.030 -9.160 -4.199 0.014 HO2* 1CV 82 1CV H2AA H2AA H 0 0 N N N 67.362 125.511 112.121 -9.215 -6.487 -3.287 H2AA 1CV 83 1CV HO2A HO2A H 0 0 N N N 65.834 121.705 103.236 -2.503 0.227 1.660 HO2A 1CV 84 1CV H2P H2P H 0 1 N N N 81.121 126.777 109.420 9.146 0.567 -0.992 H2P 1CV 85 1CV H2PA H2PA H 0 0 N N N 79.541 127.418 108.856 7.998 -0.498 -0.146 H2PA 1CV 86 1CV "H3'" H3* H 0 1 N N N 66.281 120.872 107.617 -7.947 -1.242 2.273 H3* 1CV 87 1CV H3P H3P H 0 1 N N N 80.339 124.454 109.042 7.430 1.349 1.408 H3P 1CV 88 1CV H3PA H3PA H 0 0 N N N 79.195 125.334 110.111 8.578 2.414 0.562 H3PA 1CV 89 1CV "H4'" H4* H 0 1 N N N 68.251 118.598 108.467 -7.456 0.282 -0.169 H4* 1CV 90 1CV HO4A HO4A H 0 0 N N N 70.946 120.986 101.270 -3.697 5.566 0.350 HO4A 1CV 91 1CV HN4P HN4P H 0 0 N N N 77.837 125.775 107.959 6.765 1.371 -1.337 HN4P 1CV 92 1CV "H5'" H5* H 0 1 N N N 69.097 119.160 106.074 -6.649 0.778 2.174 H5* 1CV 93 1CV "H5'A" H5*A H 0 0 N N N 67.505 118.336 106.186 -5.536 -0.605 2.036 H5*A 1CV 94 1CV HN6A HN6A H 0 0 N N N 67.474 128.101 108.662 -4.161 -7.641 -2.294 HN6A 1CV 95 1CV HN6B HN6B H 0 0 N N N 68.556 127.436 107.635 -5.208 -8.657 -3.128 HN6B 1CV 96 1CV H6P H6P H 0 1 N N N 76.229 124.200 107.152 5.449 3.522 -2.288 H6P 1CV 97 1CV H6PA H6PA H 0 0 N N N 77.217 124.655 105.723 4.301 2.457 -1.441 H6PA 1CV 98 1CV H7P H7P H 0 1 N N N 77.798 122.210 105.363 3.733 4.304 0.113 H7P 1CV 99 1CV H7PA H7PA H 0 0 N N N 76.767 121.770 106.767 4.881 5.369 -0.734 H7PA 1CV 100 1CV H8A H8A H 0 1 N N N 68.572 122.333 106.632 -4.451 -3.292 -0.207 H8A 1CV 101 1CV HO8A HO8A H 0 0 N N N 63.311 117.741 109.304 -9.676 1.791 2.114 HO8A 1CV 102 1CV HN8P HN8P H 0 0 N N N 75.724 123.054 104.232 3.068 4.327 -2.632 HN8P 1CV 103 1CV HO9A HO9A H 0 0 N N N 63.512 120.784 107.184 -12.520 0.444 1.852 HO9A 1CV 104 # 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 1CV S1P C1 SING N N 1 1CV C1 C2 SING N N 2 1CV C1 S2 SING N N 3 1CV C1 H1 SING N N 4 1CV C3 C2 SING N N 5 1CV C2 H2 SING N N 6 1CV C2 H2A SING N N 7 1CV S2 HS2 SING N N 8 1CV C6 C3 SING N N 9 1CV O7 C3 SING N N 10 1CV C3 C4 SING N N 11 1CV O3 C5 DOUB N N 12 1CV C5 C4 SING N N 13 1CV C4 H4 SING N N 14 1CV C4 H4A SING N N 15 1CV C5 O4 SING N N 16 1CV O4 HO4 SING N N 17 1CV C6 H6 SING N N 18 1CV C6 H6A SING N N 19 1CV C6 H6B SING N N 20 1CV O7 HO7 SING N N 21 1CV "O4'" "C1'" SING N N 22 1CV N9A "C1'" SING N N 23 1CV "C1'" "C2'" SING N N 24 1CV "C1'" "H1'" SING N N 25 1CV O10 C10 SING N N 26 1CV C10 C11 SING N N 27 1CV C10 C9P SING N N 28 1CV C10 H10 SING N N 29 1CV O10 HO10 SING N N 30 1CV C12 C11 SING N N 31 1CV C11 C13 SING N N 32 1CV C11 C14 SING N N 33 1CV O6A C12 SING N N 34 1CV C12 H12 SING N N 35 1CV C12 H12A SING N N 36 1CV C13 H13 SING N N 37 1CV C13 H13A SING N N 38 1CV C13 H13B SING N N 39 1CV C14 H14 SING N N 40 1CV C14 H14A SING N N 41 1CV C14 H14B SING N N 42 1CV C6A N1A DOUB Y N 43 1CV N1A C2A SING Y N 44 1CV O1A P1A DOUB N N 45 1CV O3A P1A SING N N 46 1CV O2A P1A SING N N 47 1CV P1A "O5'" SING N N 48 1CV S1P C2P SING N N 49 1CV "C3'" "C2'" SING N N 50 1CV "C2'" "O2'" SING N N 51 1CV "C2'" "H2'" SING N N 52 1CV "O2'" "HO2'" SING N N 53 1CV N3A C2A DOUB Y N 54 1CV C2A H2AA SING N N 55 1CV O2A HO2A SING N N 56 1CV O5A P2A DOUB N N 57 1CV O4A P2A SING N N 58 1CV P2A O3A SING N N 59 1CV P2A O6A SING N N 60 1CV C2P C3P SING N N 61 1CV C2P H2P SING N N 62 1CV C2P H2PA SING N N 63 1CV "C4'" "C3'" SING N N 64 1CV "C3'" "O3'" SING N N 65 1CV "C3'" "H3'" SING N N 66 1CV "P3'" "O3'" SING N N 67 1CV O7A "P3'" DOUB N N 68 1CV O9A "P3'" SING N N 69 1CV "P3'" O8A SING N N 70 1CV C4A N3A SING Y N 71 1CV N4P C3P SING N N 72 1CV C3P H3P SING N N 73 1CV C3P H3PA SING N N 74 1CV "C5'" "C4'" SING N N 75 1CV "C4'" "O4'" SING N N 76 1CV "C4'" "H4'" SING N N 77 1CV C5A C4A DOUB Y N 78 1CV N9A C4A SING Y N 79 1CV O4A HO4A SING N N 80 1CV C5P N4P SING N N 81 1CV N4P HN4P SING N N 82 1CV "O5'" "C5'" SING N N 83 1CV "C5'" "H5'" SING N N 84 1CV "C5'" "H5'A" SING N N 85 1CV N7A C5A SING Y N 86 1CV C5A C6A SING Y N 87 1CV C6P C5P SING N N 88 1CV C5P O5P DOUB N N 89 1CV N6A C6A SING N N 90 1CV N6A HN6A SING N N 91 1CV N6A HN6B SING N N 92 1CV C7P C6P SING N N 93 1CV C6P H6P SING N N 94 1CV C6P H6PA SING N N 95 1CV N7A C8A DOUB Y N 96 1CV N8P C7P SING N N 97 1CV C7P H7P SING N N 98 1CV C7P H7PA SING N N 99 1CV C8A N9A SING Y N 100 1CV C8A H8A SING N N 101 1CV O8A HO8A SING N N 102 1CV N8P C9P SING N N 103 1CV N8P HN8P SING N N 104 1CV O9A HO9A SING N N 105 1CV C9P O9P DOUB N N 106 # 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 1CV SMILES ACDLabs 12.01 "O=C(O)CC(O)(C)CC(S)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" 1CV InChI InChI 1.03 ;InChI=1S/C27H46N7O19P3S2/c1-26(2,21(39)24(40)30-5-4-15(35)29-6-7-58-17(57)9-27(3,41)8-16(36)37)11-50-56(47,48)53-55(45,46)49-10-14-20(52-54(42,43)44)19(38)25(51-14)34-13-33-18-22(28)31-12-32-23(18)34/h12-14,17,19-21,25,38-39,41,57H,4-11H2,1-3H3,(H,29,35)(H,30,40)(H,36,37)(H,45,46)(H,47,48)(H2,28,31,32)(H2,42,43,44)/t14-,17-,19-,20-,21+,25-,27+/m1/s1 ; 1CV InChIKey InChI 1.03 YDFKRXILVYQATJ-NLYQEGKRSA-N 1CV SMILES_CANONICAL CACTVS 3.370 "C[C@@](O)(C[C@H](S)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)CC(O)=O" 1CV SMILES CACTVS 3.370 "C[C](O)(C[CH](S)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)CC(O)=O" 1CV SMILES_CANONICAL "OpenEye OEToolkits" 1.7.6 "C[C@@](C[C@H](S)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)(CC(=O)O)O" 1CV SMILES "OpenEye OEToolkits" 1.7.6 "CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(CC(C)(CC(=O)O)O)S)O" # 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 1CV "SYSTEMATIC NAME" ACDLabs 12.01 "(3R,5R,9R,19R,21S)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9,21-tetrahydroxy-8,8,21-trimethyl-10,14-dioxo-19-sulfanyl-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphatricosan-23-oic acid 3,5-dioxide" 1CV "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.7.6 ;(3S,5R)-5-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-3-methyl-3-oxidanyl-5-sulfanyl-pentanoic 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 1CV "Create component" 2012-12-07 RCSB 1CV "Initial release" 2013-07-17 RCSB #