data_9JJ # _chem_comp.id 9JJ _chem_comp.name ;[[(2~{R},3~{S},4~{R},5~{R})-5-(3-aminocarbonylpyridin-1-ium-1-yl)-3-oxidanyl-4-[[1-oxidanyl-6-[4-(trifluoromethyl)phenoxy]-3~{H}-2,1$l^{4}-benzoxaborol-1-yl]oxy]oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate ; _chem_comp.type NON-POLYMER _chem_comp.pdbx_type HETAIN _chem_comp.formula "C35 H37 B F3 N7 O17 P2" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms ? _chem_comp.pdbx_formal_charge 1 _chem_comp.pdbx_initial_date 2017-05-15 _chem_comp.pdbx_modified_date 2018-05-11 _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 957.459 _chem_comp.one_letter_code ? _chem_comp.three_letter_code 9JJ _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 5VRM _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 9JJ PA P1 P 0 1 N N N 273.464 45.240 136.557 5.790 2.497 -1.209 PA 9JJ 1 9JJ O1A O1 O 0 1 N N N 274.318 44.270 137.346 5.867 4.006 -0.652 O1A 9JJ 2 9JJ O2A O2 O 0 1 N N N 273.222 46.631 137.097 6.377 2.442 -2.566 O2A 9JJ 3 9JJ O5B O3 O 0 1 N N N 274.106 45.334 135.084 6.613 1.521 -0.228 O5B 9JJ 4 9JJ C5B C1 C 0 1 N N N 274.016 46.503 134.273 8.027 1.614 -0.044 C5B 9JJ 5 9JJ C4B C2 C 0 1 N N R 275.128 46.415 133.237 8.484 0.543 0.949 C4B 9JJ 6 9JJ O4B O4 O 0 1 N N N 275.004 47.431 132.238 8.367 -0.771 0.360 O4B 9JJ 7 9JJ C3B C3 C 0 1 N N S 276.494 46.598 133.888 9.988 0.704 1.259 C3B 9JJ 8 9JJ O3B O5 O 0 1 N N N 277.228 45.368 133.907 10.174 1.408 2.489 O3B 9JJ 9 9JJ C2B C4 C 0 1 N N R 277.200 47.656 133.056 10.504 -0.747 1.383 C2B 9JJ 10 9JJ O2B O6 O 0 1 N N N 278.533 47.262 132.706 11.026 -0.984 2.692 O2B 9JJ 11 9JJ C1B C5 C 0 1 N N R 276.319 47.810 131.822 9.249 -1.614 1.133 C1B 9JJ 12 9JJ N9A N1 N 0 1 Y N N 276.374 49.193 131.276 9.602 -2.815 0.372 N9A 9JJ 13 9JJ C8A C6 C 0 1 Y N N 275.762 50.281 131.769 9.578 -2.947 -0.985 C8A 9JJ 14 9JJ N7A N2 N 0 1 Y N N 276.061 51.346 130.987 9.953 -4.147 -1.322 N7A 9JJ 15 9JJ C5A C7 C 0 1 Y N N 276.869 50.912 129.998 10.240 -4.859 -0.206 C5A 9JJ 16 9JJ C6A C8 C 0 1 Y N N 277.489 51.531 128.918 10.684 -6.169 0.043 C6A 9JJ 17 9JJ N6A N3 N 0 1 N N N 277.312 52.988 128.674 10.914 -7.049 -1.000 N6A 9JJ 18 9JJ N1A N4 N 0 1 Y N N 278.260 50.792 128.087 10.876 -6.543 1.304 N1A 9JJ 19 9JJ C2A C9 C 0 1 Y N N 278.432 49.476 128.290 10.659 -5.711 2.305 C2A 9JJ 20 9JJ N3A N5 N 0 1 Y N N 277.845 48.856 129.324 10.244 -4.475 2.120 N3A 9JJ 21 9JJ C4A C10 C 0 1 Y N N 277.062 49.552 130.187 10.024 -4.012 0.894 C4A 9JJ 22 9JJ O3 O7 O 0 1 N N N 272.014 44.598 136.236 4.252 2.025 -1.269 O3 9JJ 23 9JJ PN P2 P 0 1 N N N 271.789 43.240 135.387 3.046 2.274 -2.306 PN 9JJ 24 9JJ O1N O8 O 0 1 N N N 270.552 42.576 135.942 3.208 1.283 -3.565 O1N 9JJ 25 9JJ O2N O9 O 0 1 N N N 273.085 42.464 135.342 3.080 3.677 -2.775 O2N 9JJ 26 9JJ O5D O10 O 0 1 N N N 271.439 43.732 133.885 1.641 1.986 -1.575 O5D 9JJ 27 9JJ C5D C11 C 0 1 N N N 270.954 42.811 132.893 0.377 2.218 -2.199 C5D 9JJ 28 9JJ C4D C12 C 0 1 N N R 270.205 43.509 131.754 -0.747 1.841 -1.231 C4D 9JJ 29 9JJ O4D O11 O 0 1 N N N 268.915 42.919 131.527 -0.802 2.781 -0.135 O4D 9JJ 30 9JJ C3D C13 C 0 1 N N S 269.839 44.934 132.101 -2.120 1.965 -1.927 C3D 9JJ 31 9JJ O3D O12 O 0 1 N N N 269.444 45.584 130.885 -2.571 0.685 -2.377 O3D 9JJ 32 9JJ C2D C14 C 0 1 N N R 268.654 44.691 133.012 -3.053 2.509 -0.822 C2D 9JJ 33 9JJ O2D O13 O 0 1 N N N 267.946 45.870 133.376 -4.108 1.583 -0.556 O2D 9JJ 34 9JJ C1D C15 C 0 1 N N R 267.883 43.688 132.173 -2.133 2.650 0.411 C1D 9JJ 35 9JJ N1N N6 N 1 1 Y N N 267.034 42.781 132.945 -2.489 3.846 1.179 N1N 9JJ 36 9JJ C2N C16 C 0 1 Y N N 266.751 42.988 134.243 -3.175 3.709 2.294 C2N 9JJ 37 9JJ C3N C17 C 0 1 Y N N 265.971 42.131 134.907 -3.530 4.827 3.050 C3N 9JJ 38 9JJ C7N C18 C 0 1 N N N 265.653 42.351 136.352 -4.301 4.673 4.303 C7N 9JJ 39 9JJ O7N O14 O 0 1 N N N 264.504 42.220 136.744 -4.630 3.566 4.681 O7N 9JJ 40 9JJ N7N N7 N 0 1 N N N 266.707 42.707 137.240 -4.638 5.761 5.024 N7N 9JJ 41 9JJ C4N C19 C 0 1 Y N N 265.455 41.027 134.256 -3.144 6.096 2.603 C4N 9JJ 42 9JJ C5N C20 C 0 1 Y N N 265.764 40.840 132.922 -2.424 6.186 1.425 C5N 9JJ 43 9JJ C6N C21 C 0 1 Y N N 266.546 41.721 132.296 -2.107 5.029 0.736 C6N 9JJ 44 9JJ B1 B1 B 0 1 N N N 268.570 46.667 134.378 -5.290 1.895 -1.168 B1 9JJ 45 9JJ O2 O15 O 0 1 N N N 269.897 47.088 134.060 -5.105 2.004 -2.528 O2 9JJ 46 9JJ C3 C22 C 0 1 N N N 270.097 48.508 134.119 -6.338 1.577 -3.132 C3 9JJ 47 9JJ C4 C23 C 0 1 Y N N 268.750 49.016 134.544 -6.949 0.565 -2.192 C4 9JJ 48 9JJ C5 C24 C 0 1 Y N N 267.863 47.996 134.694 -6.320 0.741 -0.967 C5 9JJ 49 9JJ C12 C25 C 0 1 Y N N 266.552 48.201 135.081 -6.667 -0.043 0.109 C12 9JJ 50 9JJ C13 C26 C 0 1 Y N N 266.157 49.514 135.309 -7.648 -1.015 -0.034 C13 9JJ 51 9JJ C14 C27 C 0 1 Y N N 267.080 50.555 135.148 -8.275 -1.191 -1.260 C14 9JJ 52 9JJ C15 C28 C 0 1 Y N N 268.386 50.323 134.762 -7.923 -0.398 -2.337 C15 9JJ 53 9JJ O16 O16 O 0 1 N N N 264.866 49.773 135.691 -7.995 -1.794 1.024 O16 9JJ 54 9JJ C17 C29 C 0 1 Y N N 264.374 51.053 135.752 -9.002 -2.690 0.854 C17 9JJ 55 9JJ C18 C30 C 0 1 Y N N 263.056 51.269 136.125 -8.756 -3.898 0.215 C18 9JJ 56 9JJ C19 C31 C 0 1 Y N N 262.557 52.568 136.189 -9.781 -4.808 0.044 C19 9JJ 57 9JJ C20 C32 C 0 1 Y N N 263.369 53.652 135.885 -11.051 -4.516 0.507 C20 9JJ 58 9JJ C21 C33 C 0 1 Y N N 264.684 53.439 135.513 -11.298 -3.314 1.143 C21 9JJ 59 9JJ C22 C34 C 0 1 Y N N 265.174 52.152 135.450 -10.276 -2.403 1.323 C22 9JJ 60 9JJ C23 C35 C 0 1 N N N 262.825 55.047 135.955 -12.167 -5.511 0.319 C23 9JJ 61 9JJ F24 F1 F 0 1 N N N 262.064 55.156 137.031 -11.938 -6.254 -0.844 F24 9JJ 62 9JJ F25 F2 F 0 1 N N N 263.817 55.915 136.058 -12.216 -6.372 1.420 F25 9JJ 63 9JJ F26 F3 F 0 1 N N N 262.136 55.277 134.843 -13.384 -4.830 0.204 F26 9JJ 64 9JJ O1 O17 O 0 1 N N N 268.666 45.874 135.689 -5.789 3.064 -0.664 O1 9JJ 65 9JJ H1 H1 H 0 1 N N N 274.619 44.689 138.144 5.499 4.117 0.236 H1 9JJ 66 9JJ H2 H2 H 0 1 N N N 274.147 47.403 134.892 8.528 1.461 -0.999 H2 9JJ 67 9JJ H3 H3 H 0 1 N N N 273.037 46.541 133.773 8.279 2.601 0.345 H3 9JJ 68 9JJ H4 H4 H 0 1 N N N 275.093 45.421 132.767 7.898 0.603 1.866 H4 9JJ 69 9JJ H5 H5 H 0 1 N N N 276.356 46.977 134.911 10.493 1.222 0.444 H5 9JJ 70 9JJ H6 H6 H 0 1 N N N 276.762 44.729 134.433 11.100 1.537 2.733 H6 9JJ 71 9JJ H7 H7 H 0 1 N N N 277.213 48.605 133.612 11.264 -0.949 0.628 H7 9JJ 72 9JJ H8 H8 H 0 1 N N N 279.055 47.175 133.495 11.779 -0.422 2.922 H8 9JJ 73 9JJ H9 H9 H 0 1 N N N 276.677 47.111 131.052 8.782 -1.886 2.079 H9 9JJ 74 9JJ H10 H10 H 0 1 N N N 275.133 50.304 132.647 9.290 -2.170 -1.678 H10 9JJ 75 9JJ H11 H11 H 0 1 N N N 277.828 53.255 127.860 10.770 -6.764 -1.916 H11 9JJ 76 9JJ H12 H12 H 0 1 N N N 276.342 53.187 128.534 11.220 -7.951 -0.815 H12 9JJ 77 9JJ H13 H13 H 0 1 N N N 279.052 48.909 127.611 10.829 -6.056 3.315 H13 9JJ 78 9JJ H14 H14 H 0 1 N N N 270.762 41.690 136.212 3.195 0.345 -3.332 H14 9JJ 79 9JJ H15 H15 H 0 1 N N N 270.271 42.098 133.379 0.290 3.272 -2.464 H15 9JJ 80 9JJ H16 H16 H 0 1 N N N 271.811 42.267 132.469 0.299 1.609 -3.100 H16 9JJ 81 9JJ H17 H17 H 0 1 N N N 270.816 43.489 130.840 -0.600 0.828 -0.857 H17 9JJ 82 9JJ H18 H18 H 0 1 N N N 270.657 45.452 132.623 -2.065 2.666 -2.759 H18 9JJ 83 9JJ H19 H19 H 0 1 N N N 269.207 46.485 131.070 -1.988 0.270 -3.028 H19 9JJ 84 9JJ H20 H20 H 0 1 N N N 269.012 44.181 133.918 -3.461 3.478 -1.110 H20 9JJ 85 9JJ H21 H21 H 0 1 N N N 267.280 44.225 131.426 -2.200 1.763 1.040 H21 9JJ 86 9JJ H22 H22 H 0 1 N N N 267.156 43.851 134.751 -3.466 2.724 2.626 H22 9JJ 87 9JJ H23 H23 H 0 1 N N N 266.515 42.856 138.210 -4.375 6.644 4.722 H23 9JJ 88 9JJ H24 H24 H 0 1 N N N 267.640 42.808 136.894 -5.143 5.660 5.846 H24 9JJ 89 9JJ H25 H25 H 0 1 N N N 264.823 40.324 134.779 -3.402 6.983 3.163 H25 9JJ 90 9JJ H26 H26 H 0 1 N N N 265.374 39.985 132.389 -2.109 7.148 1.049 H26 9JJ 91 9JJ H27 H27 H 0 1 N N N 266.787 41.575 131.253 -1.545 5.096 -0.184 H27 9JJ 92 9JJ H28 H28 H 0 1 N N N 270.870 48.769 134.857 -7.009 2.427 -3.254 H28 9JJ 93 9JJ H29 H29 H 0 1 N N N 270.379 48.910 133.135 -6.140 1.115 -4.100 H29 9JJ 94 9JJ H30 H30 H 0 1 N N N 265.864 47.377 135.201 -6.177 0.095 1.062 H30 9JJ 95 9JJ H31 H31 H 0 1 N N N 266.761 51.570 135.331 -9.038 -1.946 -1.373 H31 9JJ 96 9JJ H32 H32 H 0 1 N N N 269.090 51.133 134.637 -8.410 -0.535 -3.291 H32 9JJ 97 9JJ H33 H33 H 0 1 N N N 262.418 50.432 136.365 -7.765 -4.126 -0.147 H33 9JJ 98 9JJ H34 H34 H 0 1 N N N 261.529 52.733 136.478 -9.591 -5.747 -0.453 H34 9JJ 99 9JJ H35 H35 H 0 1 N N N 265.323 54.276 135.273 -12.291 -3.088 1.504 H35 9JJ 100 9JJ H36 H36 H 0 1 N N N 266.202 51.992 135.160 -10.469 -1.464 1.820 H36 9JJ 101 9JJ H37 H37 H 0 1 N N N 269.083 46.410 136.354 -5.257 3.843 -0.877 H37 9JJ 102 # 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 9JJ N1A C2A DOUB Y N 1 9JJ N1A C6A SING Y N 2 9JJ C2A N3A SING Y N 3 9JJ N6A C6A SING N N 4 9JJ C6A C5A DOUB Y N 5 9JJ N3A C4A DOUB Y N 6 9JJ C5A C4A SING Y N 7 9JJ C5A N7A SING Y N 8 9JJ C4A N9A SING Y N 9 9JJ O3D C3D SING N N 10 9JJ N7A C8A DOUB Y N 11 9JJ N9A C8A SING Y N 12 9JJ N9A C1B SING N N 13 9JJ O4D C4D SING N N 14 9JJ O4D C1D SING N N 15 9JJ C4D C3D SING N N 16 9JJ C4D C5D SING N N 17 9JJ C1B O4B SING N N 18 9JJ C1B C2B SING N N 19 9JJ C3D C2D SING N N 20 9JJ C1D N1N SING N N 21 9JJ C1D C2D SING N N 22 9JJ O4B C4B SING N N 23 9JJ C6N C5N DOUB Y N 24 9JJ C6N N1N SING Y N 25 9JJ O2B C2B SING N N 26 9JJ C5D O5D SING N N 27 9JJ C5N C4N SING Y N 28 9JJ N1N C2N DOUB Y N 29 9JJ C2D O2D SING N N 30 9JJ C2B C3B SING N N 31 9JJ C4B C3B SING N N 32 9JJ C4B C5B SING N N 33 9JJ O2D B1 SING N N 34 9JJ O5D PN SING N N 35 9JJ C3B O3B SING N N 36 9JJ O2 C3 SING N N 37 9JJ O2 B1 SING N N 38 9JJ C3 C4 SING N N 39 9JJ C2N C3N SING Y N 40 9JJ C4N C3N DOUB Y N 41 9JJ C5B O5B SING N N 42 9JJ B1 C5 SING N N 43 9JJ B1 O1 SING N N 44 9JJ C4 C5 DOUB Y N 45 9JJ C4 C15 SING Y N 46 9JJ C5 C12 SING Y N 47 9JJ C15 C14 DOUB Y N 48 9JJ F26 C23 SING N N 49 9JJ C3N C7N SING N N 50 9JJ C12 C13 DOUB Y N 51 9JJ O5B PA SING N N 52 9JJ C14 C13 SING Y N 53 9JJ C13 O16 SING N N 54 9JJ O2N PN DOUB N N 55 9JJ PN O1N SING N N 56 9JJ PN O3 SING N N 57 9JJ C22 C21 DOUB Y N 58 9JJ C22 C17 SING Y N 59 9JJ C21 C20 SING Y N 60 9JJ O16 C17 SING N N 61 9JJ C17 C18 DOUB Y N 62 9JJ C20 C23 SING N N 63 9JJ C20 C19 DOUB Y N 64 9JJ C23 F25 SING N N 65 9JJ C23 F24 SING N N 66 9JJ C18 C19 SING Y N 67 9JJ O3 PA SING N N 68 9JJ C7N O7N DOUB N N 69 9JJ C7N N7N SING N N 70 9JJ PA O2A DOUB N N 71 9JJ PA O1A SING N N 72 9JJ O1A H1 SING N N 73 9JJ C5B H2 SING N N 74 9JJ C5B H3 SING N N 75 9JJ C4B H4 SING N N 76 9JJ C3B H5 SING N N 77 9JJ O3B H6 SING N N 78 9JJ C2B H7 SING N N 79 9JJ O2B H8 SING N N 80 9JJ C1B H9 SING N N 81 9JJ C8A H10 SING N N 82 9JJ N6A H11 SING N N 83 9JJ N6A H12 SING N N 84 9JJ C2A H13 SING N N 85 9JJ O1N H14 SING N N 86 9JJ C5D H15 SING N N 87 9JJ C5D H16 SING N N 88 9JJ C4D H17 SING N N 89 9JJ C3D H18 SING N N 90 9JJ O3D H19 SING N N 91 9JJ C2D H20 SING N N 92 9JJ C1D H21 SING N N 93 9JJ C2N H22 SING N N 94 9JJ N7N H23 SING N N 95 9JJ N7N H24 SING N N 96 9JJ C4N H25 SING N N 97 9JJ C5N H26 SING N N 98 9JJ C6N H27 SING N N 99 9JJ C3 H28 SING N N 100 9JJ C3 H29 SING N N 101 9JJ C12 H30 SING N N 102 9JJ C14 H31 SING N N 103 9JJ C15 H32 SING N N 104 9JJ C18 H33 SING N N 105 9JJ C19 H34 SING N N 106 9JJ C21 H35 SING N N 107 9JJ C22 H36 SING N N 108 9JJ O1 H37 SING N N 109 # 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 9JJ InChI InChI 1.03 ;InChI=1S/C35H36BF3N7O17P2/c37-35(38,39)19-4-7-20(8-5-19)59-21-6-3-18-12-56-36(51,22(18)10-21)62-29-27(48)24(61-34(29)45-9-1-2-17(11-45)31(41)50)14-58-65(54,55)63-64(52,53)57-13-23-26(47)28(49)33(60-23)46-16-44-25-30(40)42-15-43-32(25)46/h1-11,15-16,23-24,26-29,33-34,47-49,51H,12-14H2,(H5-,40,41,42,43,50,52,53,54,55)/p+1/t23-,24-,26-,27-,28-,29-,33-,34-/m1/s1 ; 9JJ InChIKey InChI 1.03 OXCOGEVNJKHXNX-IUNYWBDYSA-O 9JJ SMILES_CANONICAL CACTVS 3.385 "NC(=O)c1ccc[n+](c1)[C@@H]2O[C@H](CO[P](O)(=O)O[P](O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n4cnc5c(N)ncnc45)[C@@H](O)[C@H]2O[B]6(O)OCc7ccc(Oc8ccc(cc8)C(F)(F)F)cc67" 9JJ SMILES CACTVS 3.385 "NC(=O)c1ccc[n+](c1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O[B]6(O)OCc7ccc(Oc8ccc(cc8)C(F)(F)F)cc67" 9JJ SMILES_CANONICAL "OpenEye OEToolkits" 2.0.6 "B1(c2cc(ccc2CO1)Oc3ccc(cc3)C(F)(F)F)(O)O[C@@H]4[C@@H]([C@H](O[C@H]4[n+]5cccc(c5)C(=O)N)COP(=O)(O)OP(=O)(O)OC[C@@H]6[C@H]([C@H]([C@@H](O6)n7cnc8c7ncnc8N)O)O)O" 9JJ SMILES "OpenEye OEToolkits" 2.0.6 "B1(c2cc(ccc2CO1)Oc3ccc(cc3)C(F)(F)F)(O)OC4C(C(OC4[n+]5cccc(c5)C(=O)N)COP(=O)(O)OP(=O)(O)OCC6C(C(C(O6)n7cnc8c7ncnc8N)O)O)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 9JJ "SYSTEMATIC NAME" "OpenEye OEToolkits" 2.0.6 ;[[(2~{R},3~{S},4~{R},5~{R})-5-(3-aminocarbonylpyridin-1-ium-1-yl)-3-oxidanyl-4-[[1-oxidanyl-6-[4-(trifluoromethyl)phenoxy]-3~{H}-2,1$l^{4}-benzoxaborol-1-yl]oxy]oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate ; # loop_ _pdbx_chem_comp_audit.comp_id _pdbx_chem_comp_audit.action_type _pdbx_chem_comp_audit.date _pdbx_chem_comp_audit.processing_site 9JJ "Create component" 2017-05-15 RCSB 9JJ "Modify charge" 2017-05-15 RCSB 9JJ "Initial release" 2018-05-16 RCSB #