data_HOZ # _chem_comp.id HOZ _chem_comp.name "(4S)-4,5-DIAMINOPENTANOIC ACID" _chem_comp.type NON-POLYMER _chem_comp.pdbx_type HETAIN _chem_comp.formula "C5 H12 N2 O2" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms ? _chem_comp.pdbx_formal_charge 0 _chem_comp.pdbx_initial_date 2006-07-18 _chem_comp.pdbx_modified_date 2011-06-04 _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 132.161 _chem_comp.one_letter_code ? _chem_comp.three_letter_code HOZ _chem_comp.pdbx_model_coordinates_details ? _chem_comp.pdbx_model_coordinates_missing_flag N _chem_comp.pdbx_ideal_coordinates_details ? _chem_comp.pdbx_ideal_coordinates_missing_flag N _chem_comp.pdbx_model_coordinates_db_code 2HOZ _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 HOZ N N N 0 1 N N N 13.828 12.370 -52.924 1.637 -1.358 0.581 N HOZ 1 HOZ CA CA C 0 1 N N S 13.252 13.558 -52.249 1.427 -0.197 -0.294 CA HOZ 2 HOZ C C C 0 1 N N N 12.446 14.570 -53.085 2.539 0.827 -0.058 C HOZ 3 HOZ N1 N1 N 0 1 N N N 11.081 14.903 -52.630 3.846 0.183 -0.244 N1 HOZ 4 HOZ CB CB C 0 1 N N N 14.382 14.230 -51.392 0.072 0.440 0.022 CB HOZ 5 HOZ CG CG C 0 1 N N N 15.329 15.267 -52.052 -1.048 -0.541 -0.332 CG HOZ 6 HOZ CD CD C 0 1 N N N 16.346 15.813 -51.101 -2.382 0.086 -0.022 CD HOZ 7 HOZ OE1 OE1 O 0 1 N N N 15.985 16.652 -50.235 -2.433 1.203 0.435 OE1 HOZ 8 HOZ OE2 OE2 O 0 1 N N N 17.533 15.417 -51.196 -3.515 -0.596 -0.254 OE2 HOZ 9 HOZ HN1 1HN H 0 1 N N N 14.710 12.146 -52.509 1.614 -1.015 1.529 HN1 HOZ 10 HOZ HN2 2HN H 0 1 N N N 13.958 12.568 -53.896 0.832 -1.955 0.469 HN2 HOZ 11 HOZ HA HA H 0 1 N N N 12.439 13.164 -51.621 1.444 -0.518 -1.335 HA HOZ 12 HOZ H1 1H H 0 1 N N N 12.308 14.084 -54.062 2.467 1.214 0.958 H1 HOZ 13 HOZ H2 2H H 0 1 N N N 13.019 15.509 -53.087 2.434 1.648 -0.768 H2 HOZ 14 HOZ HN11 1HN1 H 0 0 N N N 10.799 15.774 -53.033 4.545 0.891 -0.080 HN11 HOZ 15 HOZ HN12 2HN1 H 0 0 N N N 11.071 14.978 -51.633 3.942 -0.497 0.495 HN12 HOZ 16 HOZ HB1 1HB H 0 1 N N N 15.047 13.394 -51.130 0.022 0.681 1.083 HB1 HOZ 17 HOZ HB2 2HB H 0 1 N N N 13.873 14.757 -50.571 -0.046 1.352 -0.564 HB2 HOZ 18 HOZ HG1 1HG H 0 1 N N N 14.711 16.109 -52.397 -0.997 -0.782 -1.394 HG1 HOZ 19 HOZ HG2 2HG H 0 1 N N N 15.859 14.774 -52.880 -0.930 -1.453 0.253 HG2 HOZ 20 HOZ HOE2 HOE2 H 0 0 N N N 18.064 15.844 -50.534 -4.371 -0.194 -0.054 HOE2 HOZ 21 # 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 HOZ N CA SING N N 1 HOZ N HN1 SING N N 2 HOZ N HN2 SING N N 3 HOZ CA C SING N N 4 HOZ CA CB SING N N 5 HOZ CA HA SING N N 6 HOZ C N1 SING N N 7 HOZ C H1 SING N N 8 HOZ C H2 SING N N 9 HOZ N1 HN11 SING N N 10 HOZ N1 HN12 SING N N 11 HOZ CB CG SING N N 12 HOZ CB HB1 SING N N 13 HOZ CB HB2 SING N N 14 HOZ CG CD SING N N 15 HOZ CG HG1 SING N N 16 HOZ CG HG2 SING N N 17 HOZ CD OE1 DOUB N N 18 HOZ CD OE2 SING N N 19 HOZ OE2 HOE2 SING N N 20 # 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 HOZ SMILES ACDLabs 10.04 "O=C(O)CCC(N)CN" HOZ SMILES_CANONICAL CACTVS 3.341 "NC[C@@H](N)CCC(O)=O" HOZ SMILES CACTVS 3.341 "NC[CH](N)CCC(O)=O" HOZ SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 "C(CC(=O)O)[C@@H](CN)N" HOZ SMILES "OpenEye OEToolkits" 1.5.0 "C(CC(=O)O)C(CN)N" HOZ InChI InChI 1.03 "InChI=1S/C5H12N2O2/c6-3-4(7)1-2-5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m0/s1" HOZ InChIKey InChI 1.03 PQGAAJQIFBEYSA-BYPYZUCNSA-N # 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 HOZ "SYSTEMATIC NAME" ACDLabs 10.04 "(4S)-4,5-diaminopentanoic acid" HOZ "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 "(4S)-4,5-diaminopentanoic 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 HOZ "Create component" 2006-07-18 RCSB HOZ "Modify descriptor" 2011-06-04 RCSB #