data_SER # _chem_comp.id SER _chem_comp.name SERINE _chem_comp.type "L-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 ? _chem_comp.pdbx_formal_charge 0 _chem_comp.pdbx_initial_date 1999-07-08 _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 SEG _chem_comp.formula_weight 105.093 _chem_comp.one_letter_code S _chem_comp.three_letter_code SER _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 ? _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 SER N N N 0 1 N N N Y Y N 88.198 -7.658 -9.979 1.525 0.493 -0.608 N SER 1 SER CA CA C 0 1 N N S Y N N 87.782 -7.276 -11.358 0.100 0.469 -0.252 CA SER 2 SER C C C 0 1 N N N Y N Y 88.571 -6.062 -11.818 -0.053 0.004 1.173 C SER 3 SER O O O 0 1 N N N Y N Y 89.008 -5.296 -10.944 0.751 -0.760 1.649 O SER 4 SER CB CB C 0 1 N N N N N N 86.286 -6.966 -11.391 -0.642 -0.489 -1.184 CB SER 5 SER OG OG O 0 1 N N N N N N 85.543 -8.096 -10.989 -0.496 -0.049 -2.535 OG SER 6 SER OXT OXT O 0 1 N Y N Y N Y 88.737 -5.884 -13.035 -1.084 0.440 1.913 OXT SER 7 SER H H H 0 1 N N N Y Y N 87.668 -8.473 -9.670 1.867 -0.449 -0.499 H SER 8 SER H2 HN2 H 0 1 N Y N Y Y N 88.118 -6.879 -9.325 1.574 0.707 -1.593 H2 SER 9 SER HA HA H 0 1 N N N Y N N 87.988 -8.129 -12.045 -0.316 1.471 -0.354 HA SER 10 SER HB2 1HB H 0 1 N N N N N N 86.034 -6.065 -10.783 -0.225 -1.491 -1.081 HB2 SER 11 SER HB3 2HB H 0 1 N N N N N N 85.961 -6.588 -12.388 -1.699 -0.507 -0.920 HB3 SER 12 SER HG HG H 0 1 N N N N N N 84.613 -7.903 -11.009 -0.978 -0.679 -3.088 HG SER 13 SER HXT HXT H 0 1 N Y N Y N Y 89.230 -5.124 -13.322 -1.183 0.142 2.828 HXT SER 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 SER N CA SING N N 1 SER N H SING N N 2 SER N H2 SING N N 3 SER CA C SING N N 4 SER CA CB SING N N 5 SER CA HA SING N N 6 SER C O DOUB N N 7 SER C OXT SING N N 8 SER CB OG SING N N 9 SER CB HB2 SING N N 10 SER CB HB3 SING N N 11 SER OG HG SING N N 12 SER 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 SER SMILES ACDLabs 10.04 "O=C(O)C(N)CO" SER SMILES_CANONICAL CACTVS 3.341 "N[C@@H](CO)C(O)=O" SER SMILES CACTVS 3.341 "N[CH](CO)C(O)=O" SER SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 "C([C@@H](C(=O)O)N)O" SER SMILES "OpenEye OEToolkits" 1.5.0 "C(C(C(=O)O)N)O" SER InChI InChI 1.03 "InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m0/s1" SER InChIKey InChI 1.03 MTCFGRXMJLQNBG-REOHCLBHSA-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 SER "SYSTEMATIC NAME" ACDLabs 10.04 L-serine SER "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 "(2S)-2-amino-3-hydroxy-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 SER "Create component" 1999-07-08 RCSB SER "Modify descriptor" 2011-06-04 RCSB SER "Modify backbone" 2023-11-03 PDBE #