data_MOZ # _chem_comp.id MOZ _chem_comp.name "(2Z)-2-amino-3-hydroxybut-2-enoic acid" _chem_comp.type "PEPTIDE LINKING" _chem_comp.pdbx_type ATOMP _chem_comp.formula "C4 H7 N O3" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms ? _chem_comp.pdbx_formal_charge 0 _chem_comp.pdbx_initial_date 2013-10-10 _chem_comp.pdbx_modified_date 2023-11-03 _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 117.103 _chem_comp.one_letter_code ? _chem_comp.three_letter_code MOZ _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 2MBZ _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.pdbx_backbone_atom_flag _chem_comp_atom.pdbx_n_terminal_atom_flag _chem_comp_atom.pdbx_c_terminal_atom_flag _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 MOZ N N N 0 1 N N N Y Y N 118.137 -3.517 -3.973 0.066 1.925 -0.023 N MOZ 1 MOZ OG OG O 0 1 N N N N N N 119.581 -4.637 -5.225 2.387 0.490 0.094 OG MOZ 2 MOZ CA CA C 0 1 N N N Y N N 117.541 -4.720 -4.409 0.053 0.516 -0.004 CA MOZ 3 MOZ CB CB C 0 1 N N N N N N 118.399 -5.403 -5.170 1.213 -0.169 -0.019 CB MOZ 4 MOZ C C C 0 1 N N N Y N Y 116.126 -4.965 -3.894 -1.221 -0.204 0.031 C MOZ 5 MOZ O O O 0 1 N N N Y N Y 115.545 -6.006 -4.204 -1.233 -1.413 0.159 O MOZ 6 MOZ C6 C6 C 0 1 N N N N N N 118.293 -6.707 -5.899 1.201 -1.669 -0.161 C6 MOZ 7 MOZ OXT OXT O 0 1 N Y N Y N Y 115.591 -4.005 -3.151 -2.382 0.475 -0.079 OXT MOZ 8 MOZ H H H 0 1 N N N Y Y N 117.489 -3.011 -3.404 -0.770 2.418 -0.012 H MOZ 9 MOZ H2 H2 H 0 1 N Y N Y Y N 118.957 -3.725 -3.440 0.910 2.402 -0.042 H2 MOZ 10 MOZ H3 H3 H 0 1 N N N N N N 119.471 -3.847 -4.708 3.164 -0.086 0.073 H3 MOZ 11 MOZ H62 H62 H 0 1 N N N N N N 117.298 -7.143 -5.729 1.055 -2.126 0.818 H62 MOZ 12 MOZ H63 H63 H 0 1 N N N N N N 118.439 -6.538 -6.976 0.388 -1.965 -0.825 H63 MOZ 13 MOZ H61 H61 H 0 1 N N N N N N 119.064 -7.398 -5.528 2.150 -2.002 -0.580 H61 MOZ 14 MOZ HXT HXT H 0 1 N Y N Y N Y 114.707 -4.250 -2.905 -3.169 -0.086 -0.045 HXT MOZ 15 # 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 MOZ C6 CB SING N N 1 MOZ OG CB SING N N 2 MOZ CB CA DOUB N Z 3 MOZ CA N SING N N 4 MOZ CA C SING N N 5 MOZ O C DOUB N N 6 MOZ C OXT SING N N 7 MOZ N H SING N N 8 MOZ N H2 SING N N 9 MOZ OG H3 SING N N 10 MOZ C6 H62 SING N N 11 MOZ C6 H63 SING N N 12 MOZ C6 H61 SING N N 13 MOZ OXT HXT SING N N 14 # 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 MOZ SMILES ACDLabs 12.01 "O=C(O)C(=C(\O)C)\N" MOZ InChI InChI 1.03 "InChI=1S/C4H7NO3/c1-2(6)3(5)4(7)8/h6H,5H2,1H3,(H,7,8)/b3-2-" MOZ InChIKey InChI 1.03 VACMTKGMNYPSRC-IHWYPQMZSA-N MOZ SMILES_CANONICAL CACTVS 3.385 "CC(/O)=C(/N)C(O)=O" MOZ SMILES CACTVS 3.385 "CC(O)=C(N)C(O)=O" MOZ SMILES_CANONICAL "OpenEye OEToolkits" 1.7.6 "C/C(=C(\C(=O)O)/N)/O" MOZ SMILES "OpenEye OEToolkits" 1.7.6 "CC(=C(C(=O)O)N)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 MOZ "SYSTEMATIC NAME" ACDLabs 12.01 "(2Z)-2-amino-3-hydroxybut-2-enoic acid" MOZ "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.7.6 "(Z)-2-azanyl-3-oxidanyl-but-2-enoic 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 MOZ "Create component" 2013-10-10 PDBJ MOZ "Initial release" 2014-12-10 RCSB MOZ "Modify backbone" 2023-11-03 PDBE #