data_0QZ # _chem_comp.id 0QZ _chem_comp.name D-Isoserine _chem_comp.type "D-PEPTIDE LINKING" _chem_comp.pdbx_type ATOMP _chem_comp.formula "C3 H7 N O3" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms "(2R)-3-amino-2-hydroxypropanoic acid" _chem_comp.pdbx_formal_charge 0 _chem_comp.pdbx_initial_date 2012-08-23 _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 105.093 _chem_comp.one_letter_code ? _chem_comp.three_letter_code 0QZ _chem_comp.pdbx_model_coordinates_details ? _chem_comp.pdbx_model_coordinates_missing_flag Y _chem_comp.pdbx_ideal_coordinates_details Corina _chem_comp.pdbx_ideal_coordinates_missing_flag N _chem_comp.pdbx_model_coordinates_db_code 4GLZ _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.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 0QZ N N N 0 1 N N N Y Y N 13.286 -97.402 -1.703 2.604 -0.455 -0.025 N 0QZ 1 0QZ C1 C1 C 0 1 N N N Y N N 11.893 -97.124 -1.997 1.215 -0.641 -0.465 C1 0QZ 2 0QZ CA CA C 0 1 N N R Y N N 11.621 -95.649 -1.760 0.283 0.185 0.424 CA 0QZ 3 0QZ C C C 0 1 N N N Y N Y 12.547 -94.723 -2.520 -1.149 -0.100 0.052 C 0QZ 4 0QZ O O O 0 1 N N N Y N Y 12.729 -94.919 -3.710 -1.836 0.776 -0.418 O 0QZ 5 0QZ OB OB O 0 1 N N N N N N 11.758 -95.382 -0.415 0.556 1.576 0.238 OB 0QZ 6 0QZ H H H 0 1 N N N Y Y N 13.472 -98.372 -1.857 2.709 -0.691 0.951 H 0QZ 7 0QZ H11 H11 H 0 1 N N N Y N N 11.250 -97.728 -1.340 1.115 -0.312 -1.500 H11 0QZ 8 0QZ H12 H12 H 0 1 N N N Y N N 11.681 -97.374 -3.047 0.948 -1.695 -0.391 H12 0QZ 9 0QZ HA HA H 0 1 N N N Y N N 10.590 -95.438 -2.080 0.447 -0.081 1.468 HA 0QZ 10 0QZ HOB HOB H 0 1 N N N N N N 11.184 -95.953 0.082 0.431 1.883 -0.670 HOB 0QZ 11 0QZ H2 H2 H 0 1 N Y N Y Y N 13.869 -96.852 -2.301 3.240 -0.991 -0.597 H2 0QZ 12 0QZ OXT OXT O 0 1 N Y N Y N Y ? ? ? -1.661 -1.326 0.242 OXT 0QZ 13 0QZ HXT HXT H 0 1 N Y N Y N Y ? ? ? -2.584 -1.460 -0.012 HXT 0QZ 14 # 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 0QZ O C DOUB N N 1 0QZ C CA SING N N 2 0QZ C1 CA SING N N 3 0QZ C1 N SING N N 4 0QZ CA OB SING N N 5 0QZ N H SING N N 6 0QZ C1 H11 SING N N 7 0QZ C1 H12 SING N N 8 0QZ CA HA SING N N 9 0QZ OB HOB SING N N 10 0QZ N H2 SING N N 11 0QZ C OXT SING N N 12 0QZ OXT HXT SING N N 13 # 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 0QZ SMILES ACDLabs 12.01 "O=C(O)C(O)CN" 0QZ InChI InChI 1.03 "InChI=1S/C3H7NO3/c4-1-2(5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m1/s1" 0QZ InChIKey InChI 1.03 BMYNFMYTOJXKLE-UWTATZPHSA-N 0QZ SMILES_CANONICAL CACTVS 3.370 "NC[C@@H](O)C(O)=O" 0QZ SMILES CACTVS 3.370 "NC[CH](O)C(O)=O" 0QZ SMILES_CANONICAL "OpenEye OEToolkits" 1.7.6 "C([C@H](C(=O)O)O)N" 0QZ SMILES "OpenEye OEToolkits" 1.7.6 "C(C(C(=O)O)O)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 0QZ "SYSTEMATIC NAME" ACDLabs 12.01 "(2R)-3-amino-2-hydroxypropanoic acid" 0QZ "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.7.6 "(2R)-3-azanyl-2-oxidanyl-propanoic 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 0QZ "Create component" 2012-08-23 RCSB 0QZ "Modify linking type" 2012-08-25 RCSB 0QZ "Modify linking type" 2012-08-27 RCSB 0QZ "Modify name" 2012-08-27 RCSB 0QZ "Modify parent residue" 2012-08-30 RCSB 0QZ "Initial release" 2014-05-07 RCSB 0QZ "Modify synonyms" 2020-06-05 PDBE 0QZ "Modify backbone" 2023-11-03 PDBE # _pdbx_chem_comp_synonyms.ordinal 1 _pdbx_chem_comp_synonyms.comp_id 0QZ _pdbx_chem_comp_synonyms.name "(2R)-3-amino-2-hydroxypropanoic acid" _pdbx_chem_comp_synonyms.provenance ? _pdbx_chem_comp_synonyms.type ? #