data_FGP # _chem_comp.id FGP _chem_comp.name "2-AMINO-3-HYDROXY-3-PHOSPHONOOXY-PROPIONIC ACID" _chem_comp.type "L-PEPTIDE LINKING" _chem_comp.pdbx_type ATOMP _chem_comp.formula "C3 H8 N O7 P" _chem_comp.mon_nstd_parent_comp_id SER _chem_comp.pdbx_synonyms ? _chem_comp.pdbx_formal_charge 0 _chem_comp.pdbx_initial_date 2002-10-28 _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 201.072 _chem_comp.one_letter_code S _chem_comp.three_letter_code FGP _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 1N2K _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 FGP N N N 0 1 N N N Y Y N 20.215 37.144 -18.722 1.406 1.841 0.576 N FGP 1 FGP CA CA C 0 1 N N S Y N N 20.935 38.052 -19.613 1.652 0.395 0.647 CA FGP 2 FGP CB CB C 0 1 N N S N N N 21.610 37.284 -20.747 0.475 -0.354 0.018 CB FGP 3 FGP OG1 OG1 O 0 1 N N N N N N 22.386 38.187 -21.543 0.659 -1.760 0.190 OG1 FGP 4 FGP OG2 OG2 O 0 1 N N N N N N 22.451 36.263 -20.201 -0.740 0.049 0.653 OG2 FGP 5 FGP C C C 0 1 N N N Y N Y 20.133 39.202 -20.225 2.917 0.063 -0.103 C FGP 6 FGP O O O 0 1 N N N Y N Y 20.432 40.368 -19.973 3.351 0.834 -0.926 O FGP 7 FGP P P P 0 1 N N N N N N 22.071 34.739 -20.458 -2.161 0.068 -0.104 P FGP 8 FGP O1P O1P O 0 1 N N N N N N 20.718 34.451 -19.870 -2.055 0.890 -1.330 O1P FGP 9 FGP O2P O2P O 0 1 N N N N N N 22.037 34.471 -21.933 -2.578 -1.436 -0.500 O2P FGP 10 FGP O3P O3P O 0 1 N N N N N N 23.100 33.860 -19.815 -3.279 0.697 0.869 O3P FGP 11 FGP OXT OXT O 0 1 N Y N Y N Y ? ? ? 3.561 -1.089 0.144 OXT FGP 12 FGP H HN1 H 0 1 N N N Y Y N 19.782 37.669 -17.989 2.139 2.356 1.042 HN1 FGP 13 FGP H2 HN2 H 0 1 N Y N Y Y N 19.514 36.655 -19.240 1.304 2.145 -0.381 HN2 FGP 14 FGP HA HA H 0 1 N N N Y N N 21.742 38.514 -19.025 1.759 0.095 1.689 HA FGP 15 FGP HB HB H 0 1 N N N N N N 20.827 36.824 -21.368 0.424 -0.122 -1.046 HB FGP 16 FGP HOG HOG H 0 1 N N N N N N 22.805 37.708 -22.248 0.714 -2.040 1.114 HOG FGP 17 FGP HO2P HO2P H 0 0 N N N N N N 21.169 34.177 -22.182 -2.665 -2.032 0.256 HO2P FGP 18 FGP HO3P HO3P H 0 0 N N N N N N 22.682 33.303 -19.169 -4.162 0.739 0.478 HO3P FGP 19 FGP HXT HXT H 0 1 N Y N Y N Y ? ? ? 4.367 -1.258 -0.362 HXT FGP 20 # 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 FGP N CA SING N N 1 FGP N H SING N N 2 FGP N H2 SING N N 3 FGP CA CB SING N N 4 FGP CA C SING N N 5 FGP CA HA SING N N 6 FGP CB OG1 SING N N 7 FGP CB OG2 SING N N 8 FGP CB HB SING N N 9 FGP OG1 HOG SING N N 10 FGP OG2 P SING N N 11 FGP C O DOUB N N 12 FGP C OXT SING N N 13 FGP P O1P DOUB N N 14 FGP P O2P SING N N 15 FGP P O3P SING N N 16 FGP O2P HO2P SING N N 17 FGP O3P HO3P SING N N 18 FGP OXT HXT SING N N 19 # 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 FGP SMILES ACDLabs 12.01 "O=P(OC(O)C(N)C(=O)O)(O)O" FGP InChI InChI 1.03 "InChI=1S/C3H8NO7P/c4-1(2(5)6)3(7)11-12(8,9)10/h1,3,7H,4H2,(H,5,6)(H2,8,9,10)/t1-,3+/m1/s1" FGP InChIKey InChI 1.03 JVLKWZAWYDOHCD-GPKNORDASA-N FGP SMILES_CANONICAL CACTVS 3.385 "N[C@@H]([C@@H](O)O[P](O)(O)=O)C(O)=O" FGP SMILES CACTVS 3.385 "N[CH]([CH](O)O[P](O)(O)=O)C(O)=O" FGP SMILES_CANONICAL "OpenEye OEToolkits" 1.7.6 "[C@H]([C@@H](O)OP(=O)(O)O)(C(=O)O)N" FGP SMILES "OpenEye OEToolkits" 1.7.6 "C(C(O)OP(=O)(O)O)(C(=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 FGP "SYSTEMATIC NAME" ACDLabs 12.01 "(3S)-3-(phosphonooxy)-L-serine" FGP "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.7.6 "(2S,3S)-2-azanyl-3-oxidanyl-3-phosphonooxy-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 FGP "Create component" 2002-10-28 RCSB FGP "Modify descriptor" 2011-06-04 RCSB FGP "Modify leaving atom flag" 2013-09-13 RCSB FGP "Modify backbone" 2023-11-03 PDBE #