data_1HA # _chem_comp.id 1HA _chem_comp.name 1-hydroxy-2-naphthoyl-CoA _chem_comp.type NON-POLYMER _chem_comp.pdbx_type HETAIN _chem_comp.formula "C32 H42 N7 O18 P3 S" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms ? _chem_comp.pdbx_formal_charge 0 _chem_comp.pdbx_initial_date 2012-11-29 _chem_comp.pdbx_modified_date 2013-05-03 _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 937.698 _chem_comp.one_letter_code ? _chem_comp.three_letter_code 1HA _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 4I42 _chem_comp.pdbx_subcomponent_list ? _chem_comp.pdbx_processing_site PDBJ # 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 1HA OAJ OAJ O 0 1 N N N 3.917 -20.463 43.842 -14.190 1.237 2.487 OAJ 1HA 1 1HA CBT CBT C 0 1 Y N N 5.004 -19.890 44.452 -14.521 1.688 1.253 CBT 1HA 2 1HA CBW CBW C 0 1 Y N N 4.894 -19.501 45.809 -15.722 2.399 1.053 CBW 1HA 3 1HA CAV CAV C 0 1 Y N N 3.698 -19.676 46.520 -16.598 2.658 2.120 CAV 1HA 4 1HA CAR CAR C 0 1 Y N N 3.607 -19.284 47.858 -17.751 3.348 1.894 CAR 1HA 5 1HA CAQ CAQ C 0 1 Y N N 4.690 -18.719 48.516 -18.074 3.803 0.618 CAQ 1HA 6 1HA CAU CAU C 0 1 Y N N 5.883 -18.536 47.813 -17.247 3.570 -0.439 CAU 1HA 7 1HA CBV CBV C 0 1 Y N N 5.972 -18.927 46.474 -16.051 2.862 -0.245 CBV 1HA 8 1HA CAW CAW C 0 1 Y N N 7.175 -18.738 45.795 -15.176 2.607 -1.319 CAW 1HA 9 1HA CAT CAT C 0 1 Y N N 7.279 -19.118 44.464 -14.024 1.921 -1.113 CAT 1HA 10 1HA CBU CBU C 0 1 Y N N 6.229 -19.715 43.773 -13.677 1.458 0.170 CBU 1HA 11 1HA CBR CBR C 0 1 N N N 6.617 -19.986 42.306 -12.417 0.722 0.366 CBR 1HA 12 1HA OAF OAF O 0 1 N N N 7.292 -19.331 41.540 -12.116 0.316 1.473 OAF 1HA 13 1HA SBO SBO S 0 1 N N N 5.537 -21.407 42.005 -11.345 0.428 -1.001 SBO 1HA 14 1HA CBA CBA C 0 1 N N N 5.877 -21.848 40.269 -10.019 -0.482 -0.171 CBA 1HA 15 1HA CAY CAY C 0 1 N N N 7.374 -21.912 39.925 -8.940 -0.854 -1.191 CAY 1HA 16 1HA NBH NBH N 0 1 N N N 7.798 -21.562 38.590 -7.867 -1.591 -0.519 NBH 1HA 17 1HA CBP CBP C 0 1 N N N 7.427 -22.355 37.438 -6.803 -2.024 -1.224 CBP 1HA 18 1HA OAD OAD O 0 1 N N N 6.753 -23.376 37.604 -6.734 -1.803 -2.415 OAD 1HA 19 1HA CBB CBB C 0 1 N N N 7.869 -22.046 35.990 -5.699 -2.782 -0.534 CBB 1HA 20 1HA CAZ CAZ C 0 1 N N N 8.924 -23.100 35.491 -4.621 -3.154 -1.553 CAZ 1HA 21 1HA NBI NBI N 0 1 N N N 9.757 -22.656 34.377 -3.547 -3.891 -0.881 NBI 1HA 22 1HA CBQ CBQ C 0 1 N N N 9.155 -22.745 33.041 -2.483 -4.324 -1.587 CBQ 1HA 23 1HA OAE OAE O 0 1 N N N 7.993 -23.180 32.954 -2.457 -4.186 -2.791 OAE 1HA 24 1HA CBZ CBZ C 0 1 N N R 9.866 -22.302 31.746 -1.326 -4.979 -0.878 CBZ 1HA 25 1HA OAK OAK O 0 1 N N N 11.195 -22.194 32.003 -1.697 -5.274 0.470 OAK 1HA 26 1HA CCF CCF C 0 1 N N N 9.269 -20.955 31.119 -0.124 -4.032 -0.881 CCF 1HA 27 1HA CAA CAA C 0 1 N N N 8.929 -20.227 32.491 0.367 -3.835 -2.316 CAA 1HA 28 1HA CAB CAB C 0 1 N N N 7.877 -20.556 30.511 -0.538 -2.682 -0.293 CAB 1HA 29 1HA CBD CBD C 0 1 N N N 10.086 -20.906 29.778 1.001 -4.634 -0.036 CBD 1HA 30 1HA OBK OBK O 0 1 N N N 10.295 -22.001 28.983 2.123 -3.749 -0.038 OBK 1HA 31 1HA PCI PCI P 0 1 N N N 11.559 -22.003 28.025 3.490 -4.065 0.752 PCI 1HA 32 1HA OAP OAP O 0 1 N N N 11.683 -20.670 27.351 4.196 -5.360 0.107 OAP 1HA 33 1HA OAI OAI O 0 1 N N N 11.417 -23.070 27.072 3.187 -4.327 2.177 OAI 1HA 34 1HA OBN OBN O 0 1 N N N 12.917 -22.238 28.850 4.480 -2.801 0.638 OBN 1HA 35 1HA PCH PCH P 0 1 N N N 13.245 -23.582 29.635 5.814 -2.351 1.419 PCH 1HA 36 1HA OAO OAO O 0 1 N N N 13.958 -24.555 28.749 6.718 -3.513 1.562 OAO 1HA 37 1HA OAH OAH O 0 1 N N N 11.999 -24.255 30.225 5.420 -1.795 2.878 OAH 1HA 38 1HA "O5'" "O5'" O 0 1 N N N 14.169 -23.161 30.786 6.558 -1.191 0.587 "O5'" 1HA 39 1HA "C5'" "C5'" C 0 1 N N N 15.451 -22.630 30.526 7.827 -0.653 0.965 "C5'" 1HA 40 1HA "C4'" "C4'" C 0 1 N N R 16.419 -22.812 31.639 8.243 0.425 -0.038 "C4'" 1HA 41 1HA "O4'" "O4'" O 0 1 N N N 15.940 -22.088 32.809 7.398 1.589 0.095 "O4'" 1HA 42 1HA "C3'" "C3'" C 0 1 N N S 16.490 -24.218 32.051 9.667 0.933 0.280 "C3'" 1HA 43 1HA "O3'" "O3'" O 0 1 N N N 17.766 -24.415 32.535 10.627 0.292 -0.562 "O3'" 1HA 44 1HA PCG PCG P 0 1 N N N 18.615 -25.730 32.190 11.838 -0.602 0.011 PCG 1HA 45 1HA OAM OAM O 0 1 N N N 19.130 -25.614 30.760 12.622 0.194 0.982 OAM 1HA 46 1HA OAN OAN O 0 1 N N N 17.747 -26.970 32.309 11.242 -1.906 0.744 OAN 1HA 47 1HA OAG OAG O 0 1 N N N 19.768 -25.823 33.139 12.791 -1.057 -1.204 OAG 1HA 48 1HA "C2'" "C2'" C 0 1 N N R 15.514 -24.330 33.149 9.603 2.446 -0.028 "C2'" 1HA 49 1HA "O2'" "O2'" O 0 1 N N N 15.835 -25.321 34.009 10.521 2.785 -1.069 "O2'" 1HA 50 1HA "C1'" "C1'" C 0 1 N N R 15.627 -23.009 33.820 8.148 2.673 -0.495 "C1'" 1HA 51 1HA N9 N9 N 0 1 Y N N 14.475 -22.530 34.570 7.651 3.962 -0.007 N9 1HA 52 1HA C8 C8 C 0 1 Y N N 13.443 -21.827 34.067 6.982 4.178 1.162 C8 1HA 53 1HA N7 N7 N 0 1 Y N N 12.572 -21.542 35.050 6.690 5.441 1.279 N7 1HA 54 1HA C5 C5 C 0 1 Y N N 13.054 -22.053 36.210 7.150 6.113 0.196 C5 1HA 55 1HA C4 C4 C 0 1 Y N N 14.263 -22.681 35.903 7.777 5.173 -0.639 C4 1HA 56 1HA N3 N3 N 0 1 Y N N 14.961 -23.283 36.878 8.323 5.584 -1.778 N3 1HA 57 1HA C2 C2 C 0 1 Y N N 14.513 -23.293 38.149 8.282 6.854 -2.122 C2 1HA 58 1HA N1 N1 N 0 1 Y N N 13.354 -22.703 38.463 7.707 7.774 -1.370 N1 1HA 59 1HA C6 C6 C 0 1 Y N N 12.604 -22.073 37.540 7.128 7.456 -0.217 C6 1HA 60 1HA N6 N6 N 0 1 N N N 11.368 -21.449 37.915 6.529 8.427 0.567 N6 1HA 61 1HA H1 H1 H 0 1 N N N 3.191 -20.495 44.453 -14.516 0.348 2.682 H1 1HA 62 1HA H2 H2 H 0 1 N N N 2.842 -20.116 46.030 -16.360 2.310 3.114 H2 1HA 63 1HA H3 H3 H 0 1 N N N 2.677 -19.423 48.389 -18.423 3.545 2.716 H3 1HA 64 1HA H4 H4 H 0 1 N N N 4.612 -18.426 49.553 -18.994 4.348 0.465 H4 1HA 65 1HA H5 H5 H 0 1 N N N 6.737 -18.092 48.304 -17.512 3.929 -1.423 H5 1HA 66 1HA H6 H6 H 0 1 N N N 8.021 -18.298 46.302 -15.424 2.958 -2.310 H6 1HA 67 1HA H7 H7 H 0 1 N N N 8.210 -18.944 43.945 -13.362 1.731 -1.945 H7 1HA 68 1HA H8 H8 H 0 1 N N N 5.405 -21.095 39.621 -9.582 0.142 0.608 H8 1HA 69 1HA H9 H9 H 0 1 N N N 5.433 -22.834 40.069 -10.425 -1.389 0.276 H9 1HA 70 1HA H10 H10 H 0 1 N N N 7.704 -22.945 40.108 -9.377 -1.479 -1.970 H10 1HA 71 1HA H11 H11 H 0 1 N N N 7.894 -21.233 40.617 -8.534 0.053 -1.637 H11 1HA 72 1HA H12 H12 H 0 1 N N N 8.364 -20.748 38.458 -7.922 -1.768 0.433 H12 1HA 73 1HA H13 H13 H 0 1 N N N 8.318 -21.042 35.956 -5.262 -2.158 0.246 H13 1HA 74 1HA H14 H14 H 0 1 N N N 6.989 -22.076 35.330 -6.105 -3.689 -0.087 H14 1HA 75 1HA H15 H15 H 0 1 N N N 8.381 -24.003 35.173 -5.057 -3.779 -2.332 H15 1HA 76 1HA H16 H16 H 0 1 N N N 9.585 -23.347 36.335 -4.214 -2.247 -2.000 H16 1HA 77 1HA H17 H17 H 0 1 N N N 10.685 -22.311 34.516 -3.602 -4.068 0.071 H17 1HA 78 1HA H18 H18 H 0 1 N N N 9.700 -23.093 31.000 -1.061 -5.903 -1.393 H18 1HA 79 1HA H19 H19 H 0 1 N N N 11.514 -23.009 32.373 -1.946 -4.496 0.988 H19 1HA 80 1HA H20 H20 H 0 1 N N N 8.209 -20.834 33.060 -0.407 -3.335 -2.899 H20 1HA 81 1HA H21 H21 H 0 1 N N N 9.850 -20.104 33.079 1.269 -3.223 -2.311 H21 1HA 82 1HA H22 H22 H 0 1 N N N 8.492 -19.239 32.283 0.588 -4.805 -2.762 H22 1HA 83 1HA H23 H23 H 0 1 N N N 7.122 -20.528 31.310 -0.887 -2.823 0.730 H23 1HA 84 1HA H24 H24 H 0 1 N N N 7.952 -19.563 30.043 0.319 -2.007 -0.294 H24 1HA 85 1HA H25 H25 H 0 1 N N N 7.582 -21.297 29.754 -1.339 -2.253 -0.895 H25 1HA 86 1HA H26 H26 H 0 1 N N N 11.086 -20.534 30.048 0.651 -4.775 0.987 H26 1HA 87 1HA H27 H27 H 0 1 N N N 9.578 -20.165 29.143 1.296 -5.596 -0.455 H27 1HA 88 1HA H28 H28 H 0 1 N N N 11.644 -20.786 26.409 4.424 -5.259 -0.827 H28 1HA 89 1HA H29 H29 H 0 1 N N N 11.940 -25.148 29.906 4.827 -1.031 2.861 H29 1HA 90 1HA H30 H30 H 0 1 N N N 15.856 -23.126 29.631 7.753 -0.214 1.960 H30 1HA 91 1HA H31 H31 H 0 1 N N N 15.346 -21.552 30.332 8.572 -1.449 0.973 H31 1HA 92 1HA H32 H32 H 0 1 N N N 17.413 -22.449 31.340 8.198 0.035 -1.054 H32 1HA 93 1HA H33 H33 H 0 1 N N N 16.238 -24.894 31.221 9.908 0.765 1.329 H33 1HA 94 1HA H34 H34 H 0 1 N N N 17.708 -27.411 31.469 10.716 -2.476 0.166 H34 1HA 95 1HA H35 H35 H 0 1 N N N 20.583 -25.790 32.652 13.543 -1.600 -0.932 H35 1HA 96 1HA H36 H36 H 0 1 N N N 14.501 -24.455 32.740 9.811 3.028 0.870 H36 1HA 97 1HA H37 H37 H 0 1 N N N 15.186 -25.363 34.701 10.522 3.723 -1.303 H37 1HA 98 1HA H38 H38 H 0 1 N N N 16.478 -23.066 34.514 8.087 2.629 -1.582 H38 1HA 99 1HA H39 H39 H 0 1 N N N 13.332 -21.537 33.033 6.733 3.415 1.883 H39 1HA 100 1HA H40 H40 H 0 1 N N N 15.093 -23.780 38.919 8.736 7.155 -3.055 H40 1HA 101 1HA H41 H41 H 0 1 N N N 11.214 -21.575 38.895 6.119 8.185 1.411 H41 1HA 102 1HA H42 H42 H 0 1 N N N 11.412 -20.472 37.708 6.520 9.351 0.271 H42 1HA 103 # 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 1HA OAI PCI DOUB N N 1 1HA OAP PCI SING N N 2 1HA PCI OBN SING N N 3 1HA PCI OBK SING N N 4 1HA OAO PCH DOUB N N 5 1HA OBN PCH SING N N 6 1HA OBK CBD SING N N 7 1HA PCH OAH SING N N 8 1HA PCH "O5'" SING N N 9 1HA CBD CCF SING N N 10 1HA CAB CCF SING N N 11 1HA "C5'" "O5'" SING N N 12 1HA "C5'" "C4'" SING N N 13 1HA OAM PCG DOUB N N 14 1HA CCF CBZ SING N N 15 1HA CCF CAA SING N N 16 1HA "C4'" "C3'" SING N N 17 1HA "C4'" "O4'" SING N N 18 1HA CBZ OAK SING N N 19 1HA CBZ CBQ SING N N 20 1HA "C3'" "O3'" SING N N 21 1HA "C3'" "C2'" SING N N 22 1HA PCG OAN SING N N 23 1HA PCG "O3'" SING N N 24 1HA PCG OAG SING N N 25 1HA "O4'" "C1'" SING N N 26 1HA OAE CBQ DOUB N N 27 1HA CBQ NBI SING N N 28 1HA "C2'" "C1'" SING N N 29 1HA "C2'" "O2'" SING N N 30 1HA "C1'" N9 SING N N 31 1HA C8 N9 SING Y N 32 1HA C8 N7 DOUB Y N 33 1HA NBI CAZ SING N N 34 1HA N9 C4 SING Y N 35 1HA N7 C5 SING Y N 36 1HA CAZ CBB SING N N 37 1HA C4 C5 DOUB Y N 38 1HA C4 N3 SING Y N 39 1HA CBB CBP SING N N 40 1HA C5 C6 SING Y N 41 1HA N3 C2 DOUB Y N 42 1HA CBP OAD DOUB N N 43 1HA CBP NBH SING N N 44 1HA C6 N6 SING N N 45 1HA C6 N1 DOUB Y N 46 1HA C2 N1 SING Y N 47 1HA NBH CAY SING N N 48 1HA CAY CBA SING N N 49 1HA CBA SBO SING N N 50 1HA OAF CBR DOUB N N 51 1HA SBO CBR SING N N 52 1HA CBR CBU SING N N 53 1HA CBU CBT DOUB Y N 54 1HA CBU CAT SING Y N 55 1HA OAJ CBT SING N N 56 1HA CBT CBW SING Y N 57 1HA CAT CAW DOUB Y N 58 1HA CAW CBV SING Y N 59 1HA CBW CBV DOUB Y N 60 1HA CBW CAV SING Y N 61 1HA CBV CAU SING Y N 62 1HA CAV CAR DOUB Y N 63 1HA CAU CAQ DOUB Y N 64 1HA CAR CAQ SING Y N 65 1HA OAJ H1 SING N N 66 1HA CAV H2 SING N N 67 1HA CAR H3 SING N N 68 1HA CAQ H4 SING N N 69 1HA CAU H5 SING N N 70 1HA CAW H6 SING N N 71 1HA CAT H7 SING N N 72 1HA CBA H8 SING N N 73 1HA CBA H9 SING N N 74 1HA CAY H10 SING N N 75 1HA CAY H11 SING N N 76 1HA NBH H12 SING N N 77 1HA CBB H13 SING N N 78 1HA CBB H14 SING N N 79 1HA CAZ H15 SING N N 80 1HA CAZ H16 SING N N 81 1HA NBI H17 SING N N 82 1HA CBZ H18 SING N N 83 1HA OAK H19 SING N N 84 1HA CAA H20 SING N N 85 1HA CAA H21 SING N N 86 1HA CAA H22 SING N N 87 1HA CAB H23 SING N N 88 1HA CAB H24 SING N N 89 1HA CAB H25 SING N N 90 1HA CBD H26 SING N N 91 1HA CBD H27 SING N N 92 1HA OAP H28 SING N N 93 1HA OAH H29 SING N N 94 1HA "C5'" H30 SING N N 95 1HA "C5'" H31 SING N N 96 1HA "C4'" H32 SING N N 97 1HA "C3'" H33 SING N N 98 1HA OAN H34 SING N N 99 1HA OAG H35 SING N N 100 1HA "C2'" H36 SING N N 101 1HA "O2'" H37 SING N N 102 1HA "C1'" H38 SING N N 103 1HA C8 H39 SING N N 104 1HA C2 H40 SING N N 105 1HA N6 H41 SING N N 106 1HA N6 H42 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 1HA SMILES ACDLabs 12.01 "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)c5ccc4ccccc4c5O" 1HA InChI InChI 1.03 ;InChI=1S/C32H42N7O18P3S/c1-32(2,26(43)29(44)35-10-9-21(40)34-11-12-61-31(45)19-8-7-17-5-3-4-6-18(17)23(19)41)14-54-60(51,52)57-59(49,50)53-13-20-25(56-58(46,47)48)24(42)30(55-20)39-16-38-22-27(33)36-15-37-28(22)39/h3-8,15-16,20,24-26,30,41-43H,9-14H2,1-2H3,(H,34,40)(H,35,44)(H,49,50)(H,51,52)(H2,33,36,37)(H2,46,47,48)/t20-,24-,25-,26+,30-/m1/s1 ; 1HA InChIKey InChI 1.03 ZHSLHXZSNOSMQG-HSJNEKGZSA-N 1HA SMILES_CANONICAL CACTVS 3.370 "CC(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@@H](O)C(=O)NCCC(=O)NCCSC(=O)c4ccc5ccccc5c4O" 1HA SMILES CACTVS 3.370 "CC(C)(CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[CH](O)C(=O)NCCC(=O)NCCSC(=O)c4ccc5ccccc5c4O" 1HA SMILES_CANONICAL "OpenEye OEToolkits" 1.7.6 "CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)c4ccc5ccccc5c4O)O" 1HA 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(=O)c4ccc5ccccc5c4O)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 1HA "SYSTEMATIC NAME" ACDLabs 12.01 ;S-{(3R,5R,9R)-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-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} 1-hydroxynaphthalene-2-carbothioate (non-preferred name) ; 1HA "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.7.6 "S-[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]ethyl] 1-oxidanylnaphthalene-2-carbothioate" # loop_ _pdbx_chem_comp_audit.comp_id _pdbx_chem_comp_audit.action_type _pdbx_chem_comp_audit.date _pdbx_chem_comp_audit.processing_site 1HA "Create component" 2012-11-29 PDBJ 1HA "Initial release" 2013-05-08 RCSB #