data_62F # _chem_comp.id 62F _chem_comp.name ;[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{S})-5-[5-[(2~{R},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-7,8-dimethyl-2,4-bis(oxidanyl)benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate ; _chem_comp.type NON-POLYMER _chem_comp.pdbx_type HETAIN _chem_comp.formula "C33 H45 N9 O20 P2" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms ? _chem_comp.pdbx_formal_charge 0 _chem_comp.pdbx_initial_date 2016-01-15 _chem_comp.pdbx_modified_date 2016-02-12 _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 949.706 _chem_comp.one_letter_code ? _chem_comp.three_letter_code 62F _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 5HHF _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 62F O4 O1 O 0 1 N N N 72.692 72.734 160.960 -8.195 -0.585 2.993 O4 62F 1 62F C4 C1 C 0 1 Y N N 72.101 73.445 160.131 -7.479 0.495 2.591 C4 62F 2 62F N3 N1 N 0 1 Y N N 71.379 72.787 159.120 -7.316 1.541 3.400 N3 62F 3 62F C2 C2 C 0 1 Y N N 70.914 73.502 157.993 -6.619 2.596 3.014 C2 62F 4 62F O2 O2 O 0 1 N N N 70.239 72.748 157.114 -6.478 3.638 3.869 O2 62F 5 62F N1 N2 N 0 1 Y N N 71.100 74.770 157.771 -6.054 2.666 1.818 N1 62F 6 62F C10 C3 C 0 1 Y N N 71.790 75.445 158.762 -6.173 1.663 0.957 C10 62F 7 62F C02 C4 C 0 1 Y N N 72.005 74.890 160.002 -6.898 0.531 1.330 C02 62F 8 62F N5 N3 N 0 1 N N N 72.651 75.571 161.142 -7.036 -0.541 0.430 N5 62F 9 62F C01 C5 C 0 1 Y N N 73.077 76.986 160.837 -6.693 -0.344 -0.917 C01 62F 10 62F C6 C6 C 0 1 Y N N 73.880 77.708 161.832 -7.067 -1.266 -1.879 C6 62F 11 62F C7 C7 C 0 1 Y N N 74.277 79.029 161.437 -6.722 -1.059 -3.204 C7 62F 12 62F C7M C8 C 0 1 N N N 75.104 79.905 162.398 -7.130 -2.062 -4.252 C7M 62F 13 62F C8 C9 C 0 1 Y N N 73.909 79.574 160.134 -6.005 0.065 -3.567 C8 62F 14 62F C8M C10 C 0 1 N N N 74.390 80.950 159.871 -5.633 0.284 -5.011 C8M 62F 15 62F C9 C11 C 0 1 Y N N 73.191 78.839 159.279 -5.627 0.991 -2.610 C9 62F 16 62F C9A C12 C 0 1 Y N N 72.720 77.495 159.546 -5.969 0.791 -1.283 C9A 62F 17 62F N10 N4 N 0 1 N N N 71.970 76.796 158.587 -5.586 1.722 -0.302 N10 62F 18 62F C1P C13 C 0 1 N N N 71.095 77.524 157.733 -4.584 2.747 -0.604 C1P 62F 19 62F C2P C14 C 0 1 N N S 71.637 77.661 156.288 -3.191 2.214 -0.264 C2P 62F 20 62F O2P O3 O 0 1 N N N 72.828 78.422 156.289 -3.133 1.886 1.126 O2P 62F 21 62F C3P C15 C 0 1 N N S 70.629 78.282 155.307 -2.145 3.285 -0.579 C3P 62F 22 62F O3P O4 O 0 1 N N N 69.718 77.239 154.692 -2.203 3.614 -1.968 O3P 62F 23 62F C4P C16 C 0 1 N N R 71.131 78.793 154.019 -0.751 2.753 -0.239 C4P 62F 24 62F O4P O5 O 0 1 N N N 72.578 79.190 154.229 -0.693 2.424 1.151 O4P 62F 25 62F C5P C17 C 0 1 N N N 70.343 79.981 153.493 0.295 3.823 -0.554 C5P 62F 26 62F O5P O6 O 0 1 N N N 70.028 79.607 152.123 1.603 3.287 -0.346 O5P 62F 27 62F P P1 P 0 1 N N N 69.617 80.820 151.055 2.948 4.139 -0.583 P 62F 28 62F O1P O7 O 0 1 N N N 69.921 80.269 149.712 2.951 4.685 -1.959 O1P 62F 29 62F O6 O8 O 0 1 N N N 68.229 81.518 151.449 3.009 5.351 0.475 O6 62F 30 62F O7 O9 O 0 1 N N N 70.773 81.962 151.305 4.230 3.186 -0.382 O7 62F 31 62F PA P2 P 0 1 N N N 72.278 82.202 151.040 5.790 3.316 -0.758 PA 62F 32 62F O1A O10 O 0 1 N N N 72.730 83.597 151.582 5.982 3.088 -2.340 O1A 62F 33 62F O2A O11 O 0 1 N N N 72.996 80.932 151.559 6.275 4.665 -0.392 O2A 62F 34 62F O5B O12 O 0 1 N N N 72.285 82.267 149.419 6.631 2.206 0.050 O5B 62F 35 62F C5B C18 C 0 1 N N N 72.035 83.573 148.808 8.057 2.129 0.012 C5B 62F 36 62F C4B C19 C 0 1 N N R 72.877 83.715 147.600 8.530 0.966 0.887 C4B 62F 37 62F C3B C20 C 0 1 N N S 74.365 83.812 147.900 10.072 0.941 0.961 C3B 62F 38 62F O3B O13 O 0 1 N N N 75.081 82.755 147.231 10.526 1.561 2.166 O3B 62F 39 62F C2B C21 C 0 1 N N R 74.841 85.198 147.495 10.424 -0.563 0.957 C2B 62F 40 62F O2B O14 O 0 1 N N N 76.170 85.260 146.888 11.108 -0.921 2.160 O2B 62F 41 62F O4B O15 O 0 1 N N N 72.534 85.047 147.050 8.169 -0.295 0.283 O4B 62F 42 62F C1B C22 C 0 1 N N R 73.784 85.477 146.400 9.052 -1.269 0.880 C1B 62F 43 62F N9A N5 N 0 1 Y N N 73.682 86.839 146.046 9.139 -2.464 0.037 N9A 62F 44 62F C8A C23 C 0 1 Y N N 73.558 87.851 146.993 8.893 -2.525 -1.303 C8A 62F 45 62F N7A N6 N 0 1 Y N N 73.531 89.050 146.365 9.066 -3.741 -1.732 N7A 62F 46 62F C5A C24 C 0 1 Y N N 73.645 88.815 145.032 9.433 -4.536 -0.698 C5A 62F 47 62F C6A C25 C 0 1 Y N N 73.667 89.703 143.946 9.746 -5.899 -0.562 C6A 62F 48 62F N6A N7 N 0 1 N N N 73.564 91.060 144.106 9.713 -6.746 -1.656 N6A 62F 49 62F N1A N8 N 0 1 Y N N 73.788 89.086 142.732 10.076 -6.356 0.642 N1A 62F 50 62F C2A C26 C 0 1 Y N N 73.884 87.765 142.553 10.111 -5.555 1.692 C2A 62F 51 62F N3A N9 N 0 1 Y N N 73.865 86.898 143.585 9.825 -4.273 1.612 N3A 62F 52 62F C4A C27 C 0 1 Y N N 73.745 87.413 144.806 9.490 -3.725 0.448 C4A 62F 53 62F C6X C28 C 0 1 N N N 73.706 72.593 164.508 -6.160 -5.221 0.113 C6X 62F 54 62F C5X C29 C 0 1 N N R 72.685 73.738 164.413 -7.106 -4.197 0.742 C5X 62F 55 62F O5X O16 O 0 1 N N N 72.982 74.459 163.129 -6.724 -2.882 0.335 O5X 62F 56 62F C4X C30 C 0 1 N N R 71.292 73.189 164.544 -8.539 -4.476 0.282 C4X 62F 57 62F O4X O17 O 0 1 N N N 71.180 71.876 163.964 -8.600 -4.433 -1.145 O4X 62F 58 62F C3X C31 C 0 1 N N S 70.270 74.198 164.050 -9.472 -3.411 0.868 C3X 62F 59 62F O3X O18 O 0 1 N N N 69.040 73.439 163.960 -10.800 -3.622 0.386 O3X 62F 60 62F C2X C32 C 0 1 N N R 70.585 74.937 162.736 -8.981 -2.026 0.436 C2X 62F 61 62F O2X O19 O 0 1 N N N 69.723 76.021 162.575 -9.802 -1.021 1.034 O2X 62F 62 62F C1X C33 C 0 1 N N R 72.058 75.435 162.588 -7.531 -1.842 0.890 C1X 62F 63 62F O6X O20 O 0 1 N N N 74.819 73.143 165.339 -4.841 -5.034 0.632 O6X 62F 64 62F H3 H3 H 0 1 N N N 74.150 77.279 162.785 -7.628 -2.145 -1.597 H3 62F 65 62F H4 H4 H 0 1 N N N 74.426 80.496 163.032 -8.106 -1.791 -4.654 H4 62F 66 62F H5 H5 H 0 1 N N N 75.731 79.262 163.032 -6.394 -2.066 -5.056 H5 62F 67 62F H6 H6 H 0 1 N N N 75.745 80.583 161.816 -7.183 -3.054 -3.804 H6 62F 68 62F H7 H7 H 0 1 N N N 73.635 81.674 160.212 -6.422 0.849 -5.508 H7 62F 69 62F H8 H8 H 0 1 N N N 75.332 81.119 160.414 -4.698 0.841 -5.065 H8 62F 70 62F H9 H9 H 0 1 N N N 74.560 81.079 158.792 -5.511 -0.680 -5.505 H9 62F 71 62F H10 H10 H 0 1 N N N 72.945 79.277 158.323 -5.066 1.868 -2.898 H10 62F 72 62F H11 H11 H 0 1 N N N 70.954 78.531 158.152 -4.629 2.998 -1.664 H11 62F 73 62F H12 H12 H 0 1 N N N 70.127 77.003 157.697 -4.787 3.639 -0.011 H12 62F 74 62F H13 H13 H 0 1 N N N 71.862 76.646 155.928 -2.988 1.323 -0.857 H13 62F 75 62F H14 H14 H 0 1 N N N 73.450 78.037 156.895 -3.304 2.634 1.714 H14 62F 76 62F H15 H15 H 0 1 N N N 70.032 79.048 155.823 -2.348 4.177 0.014 H15 62F 77 62F H16 H16 H 0 1 N N N 69.269 76.764 155.381 -2.032 2.866 -2.557 H16 62F 78 62F H17 H17 H 0 1 N N N 71.092 77.988 153.271 -0.548 1.861 -0.832 H17 62F 79 62F H18 H18 H 0 1 N N N 73.067 78.445 154.558 -0.864 3.172 1.740 H18 62F 80 62F H19 H19 H 0 1 N N N 70.951 80.897 153.519 0.192 4.138 -1.592 H19 62F 81 62F H20 H20 H 0 1 N N N 69.425 80.133 154.079 0.146 4.681 0.102 H20 62F 82 62F H21 H21 H 0 1 N N N 67.650 81.519 150.696 3.011 5.066 1.399 H21 62F 83 62F H22 H22 H 0 1 N N N 73.438 83.481 152.205 5.685 2.222 -2.652 H22 62F 84 62F H23 H23 H 0 1 N N N 72.284 84.369 149.526 8.385 1.968 -1.015 H23 62F 85 62F H24 H24 H 0 1 N N N 70.974 83.651 148.528 8.481 3.061 0.387 H24 62F 86 62F H25 H25 H 0 1 N N N 72.675 82.915 146.872 8.103 1.046 1.886 H25 62F 87 62F H26 H26 H 0 1 N N N 74.502 83.708 148.987 10.505 1.437 0.092 H26 62F 88 62F H27 H27 H 0 1 N N N 74.746 81.914 147.518 11.488 1.573 2.265 H27 62F 89 62F H28 H28 H 0 1 N N N 74.736 85.910 148.327 11.030 -0.812 0.086 H28 62F 90 62F H29 H29 H 0 1 N N N 76.829 85.090 147.550 11.949 -0.460 2.286 H29 62F 91 62F H30 H30 H 0 1 N N N 73.995 84.850 145.521 8.705 -1.534 1.879 H30 62F 92 62F H31 H31 H 0 1 N N N 73.493 87.703 148.061 8.597 -1.687 -1.917 H31 62F 93 62F H32 H32 H 0 1 N N N 73.592 91.505 143.211 9.472 -6.400 -2.529 H32 62F 94 62F H33 H33 H 0 1 N N N 72.700 91.277 144.559 9.931 -7.685 -1.549 H33 62F 95 62F H34 H34 H 0 1 N N N 73.980 87.380 141.549 10.383 -5.968 2.652 H34 62F 96 62F H35 H35 H 0 1 N N N 73.258 71.713 164.993 -6.504 -6.228 0.350 H35 62F 97 62F H36 H36 H 0 1 N N N 74.070 72.314 163.508 -6.146 -5.087 -0.969 H36 62F 98 62F H37 H37 H 0 1 N N N 72.868 74.428 165.250 -7.052 -4.272 1.828 H37 62F 99 62F H38 H38 H 0 1 N N N 71.109 73.077 165.623 -8.848 -5.462 0.630 H38 62F 100 62F H39 H39 H 0 1 N N N 71.853 71.311 164.326 -9.481 -4.601 -1.506 H39 62F 101 62F H40 H40 H 0 1 N N N 70.151 74.961 164.834 -9.463 -3.478 1.956 H40 62F 102 62F H41 H41 H 0 1 N N N 68.878 72.998 164.786 -11.171 -4.484 0.619 H41 62F 103 62F H42 H42 H 0 1 N N N 70.410 74.223 161.918 -9.037 -1.942 -0.650 H42 62F 104 62F H43 H43 H 0 1 N N N 68.824 75.727 162.664 -10.736 -1.080 0.793 H43 62F 105 62F H44 H44 H 0 1 N N N 72.165 76.398 163.109 -7.483 -1.885 1.978 H44 62F 106 62F H45 H45 H 0 1 N N N 75.494 72.483 165.441 -4.187 -5.651 0.276 H45 62F 107 62F H46 H46 H 0 1 N N N 72.545 71.818 160.755 -9.150 -0.492 2.871 H46 62F 108 62F H1 H1 H 0 1 N N N 69.962 73.286 156.382 -5.702 3.574 4.443 H1 62F 109 # 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 62F C2A N1A DOUB Y N 1 62F C2A N3A SING Y N 2 62F N1A C6A SING Y N 3 62F N3A C4A DOUB Y N 4 62F C6A N6A SING N N 5 62F C6A C5A DOUB Y N 6 62F C4A C5A SING Y N 7 62F C4A N9A SING Y N 8 62F C5A N7A SING Y N 9 62F N9A C1B SING N N 10 62F N9A C8A SING Y N 11 62F N7A C8A DOUB Y N 12 62F C1B O4B SING N N 13 62F C1B C2B SING N N 14 62F O2B C2B SING N N 15 62F O4B C4B SING N N 16 62F O3B C3B SING N N 17 62F C2B C3B SING N N 18 62F C4B C3B SING N N 19 62F C4B C5B SING N N 20 62F C5B O5B SING N N 21 62F O5B PA SING N N 22 62F O1P P DOUB N N 23 62F PA O7 SING N N 24 62F PA O2A DOUB N N 25 62F PA O1A SING N N 26 62F P O7 SING N N 27 62F P O6 SING N N 28 62F P O5P SING N N 29 62F O5P C5P SING N N 30 62F C5P C4P SING N N 31 62F C4P O4P SING N N 32 62F C4P C3P SING N N 33 62F O3P C3P SING N N 34 62F C3P C2P SING N N 35 62F C2P O2P SING N N 36 62F C2P C1P SING N N 37 62F O2 C2 SING N N 38 62F C1P N10 SING N N 39 62F N1 C2 DOUB Y N 40 62F N1 C10 SING Y N 41 62F C2 N3 SING Y N 42 62F N10 C10 SING N N 43 62F N10 C9A SING N N 44 62F C10 C02 DOUB Y N 45 62F N3 C4 DOUB Y N 46 62F C9 C9A SING Y N 47 62F C9 C8 DOUB Y N 48 62F C9A C01 DOUB Y N 49 62F C8M C8 SING N N 50 62F C02 C4 SING Y N 51 62F C02 N5 SING N N 52 62F C4 O4 SING N N 53 62F C8 C7 SING Y N 54 62F C01 N5 SING N N 55 62F C01 C6 SING Y N 56 62F N5 C1X SING N N 57 62F C7 C6 DOUB Y N 58 62F C7 C7M SING N N 59 62F O2X C2X SING N N 60 62F C1X C2X SING N N 61 62F C1X O5X SING N N 62 62F C2X C3X SING N N 63 62F O5X C5X SING N N 64 62F O3X C3X SING N N 65 62F O4X C4X SING N N 66 62F C3X C4X SING N N 67 62F C5X C6X SING N N 68 62F C5X C4X SING N N 69 62F C6X O6X SING N N 70 62F C6 H3 SING N N 71 62F C7M H4 SING N N 72 62F C7M H5 SING N N 73 62F C7M H6 SING N N 74 62F C8M H7 SING N N 75 62F C8M H8 SING N N 76 62F C8M H9 SING N N 77 62F C9 H10 SING N N 78 62F C1P H11 SING N N 79 62F C1P H12 SING N N 80 62F C2P H13 SING N N 81 62F O2P H14 SING N N 82 62F C3P H15 SING N N 83 62F O3P H16 SING N N 84 62F C4P H17 SING N N 85 62F O4P H18 SING N N 86 62F C5P H19 SING N N 87 62F C5P H20 SING N N 88 62F O6 H21 SING N N 89 62F O1A H22 SING N N 90 62F C5B H23 SING N N 91 62F C5B H24 SING N N 92 62F C4B H25 SING N N 93 62F C3B H26 SING N N 94 62F O3B H27 SING N N 95 62F C2B H28 SING N N 96 62F O2B H29 SING N N 97 62F C1B H30 SING N N 98 62F C8A H31 SING N N 99 62F N6A H32 SING N N 100 62F N6A H33 SING N N 101 62F C2A H34 SING N N 102 62F C6X H35 SING N N 103 62F C6X H36 SING N N 104 62F C5X H37 SING N N 105 62F C4X H38 SING N N 106 62F O4X H39 SING N N 107 62F C3X H40 SING N N 108 62F O3X H41 SING N N 109 62F C2X H42 SING N N 110 62F O2X H43 SING N N 111 62F C1X H44 SING N N 112 62F O6X H45 SING N N 113 62F O4 H46 SING N N 114 62F O2 H1 SING N N 115 # 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 62F InChI InChI 1.03 ;InChI=1S/C33H45N9O20P2/c1-11-3-13-14(4-12(11)2)42(32-26(51)24(49)22(47)17(6-43)60-32)20-29(38-33(53)39-30(20)52)40(13)5-15(44)21(46)16(45)7-58-63(54,55)62-64(56,57)59-8-18-23(48)25(50)31(61-18)41-10-37-19-27(34)35-9-36-28(19)41/h3-4,9-10,15-18,21-26,31-32,43-51H,5-8H2,1-2H3,(H,54,55)(H,56,57)(H2,34,35,36)(H2,38,39,52,53)/t15-,16+,17+,18+,21-,22-,23+,24-,25+,26+,31+,32+/m0/s1 ; 62F InChIKey InChI 1.03 KSCHBBHODWJJRH-MORZIXKLSA-N 62F SMILES_CANONICAL CACTVS 3.385 "Cc1cc2N(C[C@H](O)[C@H](O)[C@H](O)CO[P](O)(=O)O[P](O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n4cnc5c(N)ncnc45)c6nc(O)nc(O)c6N([C@@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7O)c2cc1C" 62F SMILES CACTVS 3.385 "Cc1cc2N(C[CH](O)[CH](O)[CH](O)CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)c6nc(O)nc(O)c6N([CH]7O[CH](CO)[CH](O)[CH](O)[CH]7O)c2cc1C" 62F SMILES_CANONICAL "OpenEye OEToolkits" 2.0.4 "Cc1cc2c(cc1C)N(c3c(nc(nc3O)O)N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O)[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O)O" 62F SMILES "OpenEye OEToolkits" 2.0.4 "Cc1cc2c(cc1C)N(c3c(nc(nc3O)O)N2CC(C(C(COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5ncnc6N)O)O)O)O)O)C7C(C(C(C(O7)CO)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 62F "SYSTEMATIC NAME" "OpenEye OEToolkits" 2.0.4 ;[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{S})-5-[5-[(2~{R},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-7,8-dimethyl-2,4-bis(oxidanyl)benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] 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 62F "Create component" 2016-01-15 RCSB 62F "Initial release" 2016-02-17 RCSB #