data_6J4 # _chem_comp.id 6J4 _chem_comp.name "COENZYME F420-3" _chem_comp.type NON-POLYMER _chem_comp.pdbx_type HETAIN _chem_comp.formula "C34 H43 N6 O21 P" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms ? _chem_comp.pdbx_formal_charge 0 _chem_comp.pdbx_initial_date 2016-04-12 _chem_comp.pdbx_modified_date 2016-07-08 _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 902.707 _chem_comp.one_letter_code ? _chem_comp.three_letter_code 6J4 _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 5JAB _chem_comp.pdbx_subcomponent_list "6J2 GGL GGL GLU" _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 6J4 C3I C11 C 0 1 N N N 37.068 209.825 8.001 -1.414 -3.647 1.310 C3I 6J2 1 6J4 O3I O7 O 0 1 N N N 37.648 209.301 8.966 -1.018 -2.937 2.210 O3I 6J2 2 6J4 C1I C12 C 0 1 N N S 36.047 209.069 7.162 -0.476 -4.050 0.201 C1I 6J2 3 6J4 C2I C13 C 0 1 N N N 34.635 209.276 7.748 -0.257 -5.564 0.244 C2I 6J2 4 6J4 O3P O8 O 0 1 N N N 36.514 207.698 7.104 0.776 -3.382 0.369 O3P 6J2 5 6J4 P P1 P 0 1 N N N 36.466 206.884 5.690 1.393 -2.385 -0.734 P 6J2 6 6J4 O1P O9 O 0 1 N N N 37.218 207.874 4.770 1.481 -3.084 -2.036 O1P 6J2 7 6J4 O2P O10 O 0 1 N N N 37.088 205.653 6.140 0.443 -1.094 -0.881 O2P 6J2 8 6J4 "O5'" O11 O 0 1 N N N 34.998 206.860 5.131 2.864 -1.920 -0.274 "O5'" 6J2 9 6J4 "C5'" C14 C 0 1 N N N 34.466 207.396 3.986 3.716 -1.115 -1.090 "C5'" 6J2 10 6J4 "C4'" C15 C 0 1 N N R 33.155 206.736 3.623 5.033 -0.858 -0.355 "C4'" 6J2 11 6J4 "O4'" O12 O 0 1 N N N 33.357 205.310 3.382 5.731 -2.093 -0.184 "O4'" 6J2 12 6J4 "C3'" C16 C 0 1 N N S 32.150 207.045 4.726 5.895 0.105 -1.174 "C3'" 6J2 13 6J4 "O3'" O13 O 0 1 N N N 31.567 208.308 4.413 5.197 1.340 -1.345 "O3'" 6J2 14 6J4 "C2'" C17 C 0 1 N N S 31.022 206.007 4.752 7.212 0.362 -0.438 "C2'" 6J2 15 6J4 "O2'" O14 O 0 1 N N N 30.060 206.323 5.746 7.910 -0.873 -0.267 "O2'" 6J2 16 6J4 "C1'" C18 C 0 1 N N N 30.294 205.913 3.446 8.074 1.325 -1.257 "C1'" 6J2 17 6J4 N10 N4 N 0 1 N N N 29.383 204.753 3.334 9.335 1.571 -0.553 N10 6J2 18 6J4 C9A C19 C 0 1 Y N N 27.996 204.748 3.589 10.423 0.757 -0.792 C9A 6J2 19 6J4 C9 C20 C 0 1 Y N N 27.329 205.928 3.958 10.315 -0.291 -1.700 C9 6J2 20 6J4 C8 C21 C 0 1 Y N N 25.996 205.913 4.183 11.404 -1.109 -1.942 C8 6J2 21 6J4 O8M O15 O 0 1 N N N 25.391 207.088 4.529 11.294 -2.130 -2.828 O8M 6J2 22 6J4 C7 C22 C 0 1 Y N N 25.265 204.760 4.035 12.615 -0.892 -1.281 C7 6J2 23 6J4 C6 C23 C 0 1 Y N N 25.832 203.556 3.638 12.742 0.127 -0.389 C6 6J2 24 6J4 C5A C24 C 0 1 Y N N 27.229 203.522 3.403 11.649 0.972 -0.127 C5A 6J2 25 6J4 C5 C25 C 0 1 N N N 27.827 202.300 3.028 11.779 2.030 0.799 C5 6J2 26 6J4 C10 C26 C 0 1 N N N 29.995 203.529 3.019 9.427 2.605 0.329 C10 6J2 27 6J4 N1 N5 N 0 1 N N N 31.311 203.511 2.869 8.401 3.408 0.578 N1 6J2 28 6J4 C4A C27 C 0 1 N N N 29.227 202.290 2.921 10.688 2.845 1.037 C4A 6J2 29 6J4 C4 C28 C 0 1 N N N 30.019 201.044 2.700 10.739 3.972 1.980 C4 6J2 30 6J4 O4 O16 O 0 1 N N N 29.381 199.985 2.698 11.752 4.233 2.603 O4 6J2 31 6J4 N3 N6 N 0 1 N N N 31.373 201.188 2.543 9.613 4.709 2.126 N3 6J2 32 6J4 C2 C29 C 0 1 N N N 31.985 202.378 2.588 8.499 4.414 1.440 C2 6J2 33 6J4 O2 O17 O 0 1 N N N 33.217 202.504 2.400 7.517 5.115 1.615 O2 6J2 34 6J4 N1H N3 N 0 1 N N N 37.331 210.984 7.485 -2.690 -4.080 1.305 N GGL 35 6J4 C1H C9 C 0 1 N N S 38.256 211.928 8.059 -3.600 -3.693 2.386 CA GGL 36 6J4 C2H C10 C 0 1 N N N 37.685 213.337 8.236 -3.435 -4.642 3.545 C GGL 37 6J4 O2T O5 O 0 1 N N N 36.620 213.758 7.711 -2.639 -5.548 3.475 O GGL 38 6J4 C3H C8 C 0 1 N N N 39.511 212.018 7.179 -5.043 -3.750 1.882 CB GGL 39 6J4 C4H C7 C 0 1 N N N 40.242 210.674 7.178 -5.244 -2.698 0.789 CG GGL 40 6J4 C5H C6 C 0 1 N N N 41.629 210.701 6.559 -6.666 -2.754 0.293 CD GGL 41 6J4 O5H O4 O 0 1 N N N 42.513 211.412 6.990 -7.442 -3.555 0.767 OE1 GGL 42 6J4 O2U O6 O 0 1 N N N 38.410 214.074 8.956 -4.172 -4.480 4.655 OXT GGL 43 6J4 N1G N2 N 0 1 N N N 41.826 209.871 5.562 -7.074 -1.913 -0.678 N GGL 44 6J4 C1G C4 C 0 1 N N S 43.185 209.735 4.996 -8.456 -1.967 -1.160 CA GGL 45 6J4 C2G C5 C 0 1 N N N 43.317 210.628 3.792 -8.576 -3.025 -2.226 C GGL 46 6J4 O2W O2 O 0 1 N N N 42.305 210.936 3.129 -7.605 -3.668 -2.550 O GGL 47 6J4 C3G C3 C 0 1 N N N 43.508 208.283 4.615 -8.846 -0.607 -1.744 CB GGL 48 6J4 C4G C2 C 0 1 N N N 43.683 207.351 5.806 -8.846 0.445 -0.633 CG GGL 49 6J4 C5G C1 C 0 1 N N N 44.971 207.561 6.518 -9.229 1.783 -1.209 CD GGL 50 6J4 O6G O1 O 0 1 N N N 45.977 207.309 5.904 -9.479 1.886 -2.391 OE1 GGL 51 6J4 O2V O3 O 0 1 N N N 44.466 210.988 3.433 -9.760 -3.253 -2.816 OXT GGL 52 6J4 N7G N1 N 0 1 N N N 44.950 208.027 7.761 -9.296 2.866 -0.409 N GLU 53 6J4 C1 C30 C 0 1 N N S 46.113 208.279 8.545 -9.669 4.168 -0.969 CA GLU 54 6J4 C3 C31 C 0 1 N N N 46.390 207.226 9.563 -8.445 4.840 -1.536 C GLU 55 6J4 O3 O19 O 0 1 N N N 47.588 206.899 9.802 -7.372 4.289 -1.479 O GLU 56 6J4 C11 C32 C 0 1 N N N 45.849 209.570 9.329 -10.268 5.044 0.133 CB GLU 57 6J4 C12 C33 C 0 1 N N N 45.459 210.764 8.446 -11.578 4.424 0.623 CG GLU 58 6J4 C13 C34 C 0 1 N N N 45.520 212.061 9.255 -12.167 5.287 1.709 CD GLU 59 6J4 O14 O20 O 0 1 N N N 44.525 212.851 9.302 -11.598 6.295 2.055 OE1 GLU 60 6J4 O15 O21 O 0 1 N N N 46.593 212.301 9.866 -13.325 4.936 2.291 OE2 GLU 61 6J4 O1 O18 O 0 1 N N N 45.462 206.708 10.243 -8.548 6.052 -2.105 OXT GLU 62 6J4 H16 H16 H 0 1 N N N 36.057 209.494 6.148 -0.910 -3.773 -0.760 H16 6J2 63 6J4 H17 H17 H 0 1 N N N 34.389 210.348 7.742 0.421 -5.856 -0.558 H17 6J2 64 6J4 H18 H18 H 0 1 N N N 33.901 208.728 7.139 0.177 -5.841 1.205 H18 6J2 65 6J4 H19 H19 H 0 1 N N N 34.608 208.899 8.781 -1.212 -6.074 0.116 H19 6J2 66 6J4 H20 H20 H 0 1 N N N 37.967 205.593 5.784 0.339 -0.587 -0.064 H20 6J2 67 6J4 H21 H21 H 0 1 N N N 35.179 207.254 3.160 3.918 -1.634 -2.027 H21 6J2 68 6J4 H22 H22 H 0 1 N N N 34.294 208.471 4.141 3.226 -0.164 -1.300 H22 6J2 69 6J4 H23 H23 H 0 1 N N N 32.788 207.200 2.695 4.825 -0.420 0.621 H23 6J2 70 6J4 H24 H24 H 0 1 N N N 32.748 205.012 2.717 5.950 -2.540 -1.013 H24 6J2 71 6J4 H25 H25 H 0 1 N N N 32.658 207.068 5.701 6.103 -0.333 -2.150 H25 6J2 72 6J4 H26 H26 H 0 1 N N N 30.931 208.538 5.080 4.978 1.787 -0.516 H26 6J2 73 6J4 H27 H27 H 0 1 N N N 31.468 205.026 4.972 7.004 0.800 0.538 H27 6J2 74 6J4 H28 H28 H 0 1 N N N 30.488 206.391 6.591 8.128 -1.320 -1.096 H28 6J2 75 6J4 H29 H29 H 0 1 N N N 31.040 205.843 2.641 8.282 0.887 -2.233 H29 6J2 76 6J4 H30 H30 H 0 1 N N N 29.700 206.830 3.317 7.541 2.267 -1.388 H30 6J2 77 6J4 H31 H31 H 0 1 N N N 27.882 206.850 4.062 9.382 -0.466 -2.215 H31 6J2 78 6J4 H32 H32 H 0 1 N N N 24.461 206.940 4.658 11.522 -1.889 -3.737 H32 6J2 79 6J4 H33 H33 H 0 1 N N N 24.204 204.791 4.236 13.457 -1.539 -1.480 H33 6J2 80 6J4 H34 H34 H 0 1 N N N 25.226 202.671 3.512 13.683 0.288 0.117 H34 6J2 81 6J4 H35 H35 H 0 1 N N N 27.237 201.417 2.833 12.714 2.200 1.312 H35 6J2 82 6J4 H37 H37 H 0 1 N N N 31.927 200.370 2.388 9.610 5.460 2.740 H37 6J2 83 6J4 H15 H15 H 0 1 N N N 36.864 211.239 6.638 -3.006 -4.649 0.585 H GGL 84 6J4 H13 H13 H 0 1 N N N 38.567 211.565 9.050 -3.367 -2.679 2.710 HA GGL 85 6J4 H11 H11 H 0 1 N N N 40.179 212.797 7.575 -5.248 -4.740 1.476 HB2 GGL 86 6J4 H12 H12 H 0 1 N N N 39.218 212.275 6.150 -5.725 -3.548 2.709 HB3 GGL 87 6J4 H10 H10 H 0 1 N N N 40.340 210.337 8.221 -5.039 -1.708 1.195 HG2 GGL 88 6J4 H9 H9 H 0 1 N N N 39.631 209.953 6.616 -4.562 -2.900 -0.038 HG3 GGL 89 6J4 H14 H14 H 0 1 N N N 38.022 214.939 9.017 -4.031 -5.113 5.372 HXT GGL 90 6J4 H8 H8 H 0 1 N N N 41.067 209.337 5.190 -6.453 -1.272 -1.057 H2 GGL 91 6J4 H6 H6 H 0 1 N N N 43.916 210.059 5.751 -9.121 -2.210 -0.331 HA GGL 92 6J4 H4 H4 H 0 1 N N N 42.686 207.898 3.993 -8.128 -0.323 -2.514 HB2 GGL 93 6J4 H5 H5 H 0 1 N N N 44.441 208.278 4.033 -9.842 -0.672 -2.182 HB3 GGL 94 6J4 H2 H2 H 0 1 N N N 42.858 207.525 6.513 -9.564 0.161 0.137 HG2 GGL 95 6J4 H3 H3 H 0 1 N N N 43.645 206.312 5.447 -7.850 0.510 -0.195 HG3 GGL 96 6J4 H7 H7 H 0 1 N N N 44.404 211.493 2.631 -9.787 -3.941 -3.494 HXT GGL 97 6J4 H1 H1 H 0 1 N N N 44.059 208.214 8.175 -9.096 2.784 0.536 H GLU 98 6J4 H38 H38 H 0 1 N N N 46.995 208.418 7.902 -10.405 4.026 -1.760 HA GLU 99 6J4 H39 H39 H 0 1 N N N 46.763 209.832 9.883 -9.565 5.114 0.964 HB2 GLU 100 6J4 H40 H40 H 0 1 N N N 45.031 209.383 10.040 -10.463 6.041 -0.261 HB3 GLU 101 6J4 H42 H42 H 0 1 N N N 44.436 210.618 8.069 -12.280 4.354 -0.208 HG2 GLU 102 6J4 H43 H43 H 0 1 N N N 46.156 210.832 7.598 -11.382 3.427 1.018 HG3 GLU 103 6J4 H44 H44 H 0 1 N N N 46.515 213.125 10.332 -13.663 5.521 2.982 HE2 GLU 104 6J4 H41 H41 H 0 1 N N N 45.832 206.106 10.878 -7.736 6.443 -2.455 HXT GLU 105 # 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 6J4 O2 C2 DOUB N N 1 6J4 N3 C2 SING N N 2 6J4 N3 C4 SING N N 3 6J4 C2 N1 SING N N 4 6J4 O4 C4 DOUB N N 5 6J4 C4 C4A SING N N 6 6J4 N1 C10 DOUB N N 7 6J4 C4A C10 SING N N 8 6J4 C4A C5 DOUB N N 9 6J4 C10 N10 SING N N 10 6J4 C5 C5A SING N N 11 6J4 O2W C2G DOUB N N 12 6J4 N10 "C1'" SING N N 13 6J4 N10 C9A SING N N 14 6J4 "O4'" "C4'" SING N N 15 6J4 C5A C9A DOUB Y N 16 6J4 C5A C6 SING Y N 17 6J4 O2V C2G SING N N 18 6J4 "C1'" "C2'" SING N N 19 6J4 C9A C9 SING Y N 20 6J4 "C4'" "C5'" SING N N 21 6J4 "C4'" "C3'" SING N N 22 6J4 C6 C7 DOUB Y N 23 6J4 C2G C1G SING N N 24 6J4 C9 C8 DOUB Y N 25 6J4 "C5'" "O5'" SING N N 26 6J4 C7 C8 SING Y N 27 6J4 C8 O8M SING N N 28 6J4 "O3'" "C3'" SING N N 29 6J4 C3G C1G SING N N 30 6J4 C3G C4G SING N N 31 6J4 "C3'" "C2'" SING N N 32 6J4 "C2'" "O2'" SING N N 33 6J4 O1P P DOUB N N 34 6J4 C1G N1G SING N N 35 6J4 "O5'" P SING N N 36 6J4 N1G C5H SING N N 37 6J4 P O2P SING N N 38 6J4 P O3P SING N N 39 6J4 C4G C5G SING N N 40 6J4 O6G C5G DOUB N N 41 6J4 C5G N7G SING N N 42 6J4 C5H O5H DOUB N N 43 6J4 C5H C4H SING N N 44 6J4 O3P C1I SING N N 45 6J4 C1I C2I SING N N 46 6J4 C1I C3I SING N N 47 6J4 C4H C3H SING N N 48 6J4 C3H C1H SING N N 49 6J4 N1H C3I SING N N 50 6J4 N1H C1H SING N N 51 6J4 O2T C2H DOUB N N 52 6J4 N7G C1 SING N N 53 6J4 C3I O3I DOUB N N 54 6J4 C1H C2H SING N N 55 6J4 C2H O2U SING N N 56 6J4 C12 C13 SING N N 57 6J4 C12 C11 SING N N 58 6J4 C1 C11 SING N N 59 6J4 C1 C3 SING N N 60 6J4 C13 O14 DOUB N N 61 6J4 C13 O15 SING N N 62 6J4 C3 O3 DOUB N N 63 6J4 C3 O1 SING N N 64 6J4 N7G H1 SING N N 65 6J4 C4G H2 SING N N 66 6J4 C4G H3 SING N N 67 6J4 C3G H4 SING N N 68 6J4 C3G H5 SING N N 69 6J4 C1G H6 SING N N 70 6J4 O2V H7 SING N N 71 6J4 N1G H8 SING N N 72 6J4 C4H H9 SING N N 73 6J4 C4H H10 SING N N 74 6J4 C3H H11 SING N N 75 6J4 C3H H12 SING N N 76 6J4 C1H H13 SING N N 77 6J4 O2U H14 SING N N 78 6J4 N1H H15 SING N N 79 6J4 C1I H16 SING N N 80 6J4 C2I H17 SING N N 81 6J4 C2I H18 SING N N 82 6J4 C2I H19 SING N N 83 6J4 O2P H20 SING N N 84 6J4 "C5'" H21 SING N N 85 6J4 "C5'" H22 SING N N 86 6J4 "C4'" H23 SING N N 87 6J4 "O4'" H24 SING N N 88 6J4 "C3'" H25 SING N N 89 6J4 "O3'" H26 SING N N 90 6J4 "C2'" H27 SING N N 91 6J4 "O2'" H28 SING N N 92 6J4 "C1'" H29 SING N N 93 6J4 "C1'" H30 SING N N 94 6J4 C9 H31 SING N N 95 6J4 O8M H32 SING N N 96 6J4 C7 H33 SING N N 97 6J4 C6 H34 SING N N 98 6J4 C5 H35 SING N N 99 6J4 N3 H37 SING N N 100 6J4 C1 H38 SING N N 101 6J4 C11 H39 SING N N 102 6J4 C11 H40 SING N N 103 6J4 O1 H41 SING N N 104 6J4 C12 H42 SING N N 105 6J4 C12 H43 SING N N 106 6J4 O15 H44 SING N N 107 # 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 6J4 SMILES ACDLabs 12.01 "C(=O)(C(C)OP(O)(=O)OCC(C(C(O)CN2c1cc(O)ccc1C=C3C2=NC(NC3=O)=O)O)O)NC(C(O)=O)CCC(=O)NC(C(=O)O)CCC(NC(CCC(=O)O)C(=O)O)=O" 6J4 InChI InChI 1.03 ;InChI=1S/C34H43N6O21P/c1-14(29(49)37-20(33(55)56)5-8-25(45)35-18(31(51)52)4-7-24(44)36-19(32(53)54)6-9-26(46)47)61-62(58,59)60-13-23(43)27(48)22(42)12-40-21-11-16(41)3-2-15(21)10-17-28(40)38-34(57)39-30(17)50/h2-3,10-11,14,18-20,22-23,27,41-43,48H,4-9,12-13H2,1H3,(H,35,45)(H,36,44)(H,37,49)(H,46,47)(H,51,52)(H,53,54)(H,55,56)(H,58,59)(H,39,50,57)/t14-,18-,19-,20-,22-,23+,27-/m0/s1 ; 6J4 InChIKey InChI 1.03 YHDAXCLOUDHUAA-LROHGRLLSA-N 6J4 SMILES_CANONICAL CACTVS 3.385 "C[C@H](O[P](O)(=O)OC[C@@H](O)[C@@H](O)[C@@H](O)CN1c2cc(O)ccc2C=C3C(=O)NC(=O)N=C13)C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O)C(O)=O" 6J4 SMILES CACTVS 3.385 "C[CH](O[P](O)(=O)OC[CH](O)[CH](O)[CH](O)CN1c2cc(O)ccc2C=C3C(=O)NC(=O)N=C13)C(=O)N[CH](CCC(=O)N[CH](CCC(=O)N[CH](CCC(O)=O)C(O)=O)C(O)=O)C(O)=O" 6J4 SMILES_CANONICAL "OpenEye OEToolkits" 2.0.4 "C[C@@H](C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)OP(=O)(O)OC[C@H]([C@H]([C@H](CN1c2cc(ccc2C=C3C1=NC(=O)NC3=O)O)O)O)O" 6J4 SMILES "OpenEye OEToolkits" 2.0.4 "CC(C(=O)NC(CCC(=O)NC(CCC(=O)NC(CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)OP(=O)(O)OCC(C(C(CN1c2cc(ccc2C=C3C1=NC(=O)NC3=O)O)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 6J4 "SYSTEMATIC NAME" ACDLabs 12.01 ;(3S,8S,13S,16S,18S,21R,22S,23S)-18,21,22,23-tetrahydroxy-24-(8-hydroxy-2,4-dioxo-3,4-dihydropyrimido[4,5-b]quinolin-10(2H)-yl)-16-methyl-5,10,15-trioxo-17,19-dioxa-4,9,14-triaza-18-phosphatetracosane-1,3,8,13-tetracarboxylic acid 18-oxide (non-preferred name) ; 6J4 "SYSTEMATIC NAME" "OpenEye OEToolkits" 2.0.4 ;(2~{S})-2-[[(4~{S})-5-oxidanyl-5-oxidanylidene-4-[[(4~{S})-5-oxidanyl-5-oxidanylidene-4-[[(2~{S})-2-[oxidanyl-[(2~{R},3~{S},4~{S})-2,3,4-tris(oxidanyl)-5-[8-oxidanyl-2,4-bis(oxidanylidene)pyrimido[4,5-b]quinolin-10-yl]pentoxy]phosphoryl]oxypropanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanedioic 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 6J4 "Create component" 2016-04-12 RCSB 6J4 "Modify name" 2016-04-13 RCSB 6J4 "Initial release" 2016-07-13 RCSB #