data_PCA # _chem_comp.id PCA _chem_comp.name 'PYROGLUTAMIC ACID' _chem_comp.type 'L-PEPTIDE LINKING' _chem_comp.pdbx_type ATOMP _chem_comp.formula 'C5 H7 N O3' _chem_comp.mon_nstd_parent_comp_id GLN _chem_comp.pdbx_synonyms ? _chem_comp.pdbx_formal_charge 0 _chem_comp.pdbx_initial_date 1999-07-08 _chem_comp.pdbx_modified_date 2024-09-27 _chem_comp.pdbx_ambiguous_flag N _chem_comp.pdbx_release_status REL _chem_comp.pdbx_replaced_by ? _chem_comp.pdbx_replaces PCC _chem_comp.formula_weight 129.114 _chem_comp.one_letter_code Q _chem_comp.three_letter_code PCA _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 _chem_comp.pdbx_pcm Y # 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 PCA N N N 0 1 N N N Y Y N 38.821 57.719 67.990 0.713 0.531 -0.633 N PCA 1 PCA CA CA C 0 1 N N S Y N N 38.455 58.883 67.183 -0.328 0.539 0.400 CA PCA 2 PCA CB CB C 0 1 N N N N N N 37.375 59.639 67.947 -1.455 -0.368 -0.140 CB PCA 3 PCA CG CG C 0 1 N N N N N N 37.746 59.312 69.375 -1.232 -0.272 -1.667 CG PCA 4 PCA CD CD C 0 1 N N N N N N 38.398 57.930 69.250 0.231 0.082 -1.807 CD PCA 5 PCA OE OE O 0 1 N N N N N N 38.575 57.133 70.197 0.876 -0.019 -2.829 OE PCA 6 PCA C C C 0 1 N N N Y N Y 39.640 59.813 66.967 0.214 -0.015 1.691 C PCA 7 PCA O O O 0 1 N N N Y N Y 40.560 59.863 67.790 1.122 -0.812 1.672 O PCA 8 PCA OXT OXT O 0 1 N Y N Y N Y 39.626 60.540 65.853 -0.311 0.374 2.863 OXT PCA 9 PCA H HN H 0 1 N N N Y Y N 39.309 56.868 67.709 1.631 0.810 -0.489 H PCA 10 PCA HA HA H 0 1 N N N Y N N 38.103 58.540 66.181 -0.700 1.552 0.552 HA PCA 11 PCA HB2 1HB H 0 1 N N N N N N 37.293 60.725 67.710 -1.331 -1.393 0.208 HB2 PCA 12 PCA HB3 2HB H 0 1 N N N N N N 36.325 59.396 67.657 -2.435 0.019 0.136 HB3 PCA 13 PCA HG2 1HG H 0 1 N N N N N N 38.375 60.080 69.881 -1.439 -1.230 -2.144 HG2 PCA 14 PCA HG3 2HG H 0 1 N N N N N N 36.900 59.365 70.100 -1.857 0.511 -2.095 HG3 PCA 15 PCA HXT HXT H 0 1 N Y N Y N Y 40.365 61.120 65.718 0.036 0.018 3.692 HXT PCA 16 # 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 PCA N CA SING N N 1 PCA N CD SING N N 2 PCA N H SING N N 3 PCA CA CB SING N N 4 PCA CA C SING N N 5 PCA CA HA SING N N 6 PCA CB CG SING N N 7 PCA CB HB2 SING N N 8 PCA CB HB3 SING N N 9 PCA CG CD SING N N 10 PCA CG HG2 SING N N 11 PCA CG HG3 SING N N 12 PCA CD OE DOUB N N 13 PCA C O DOUB N N 14 PCA C OXT SING N N 15 PCA OXT HXT SING N N 16 # 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 PCA SMILES ACDLabs 10.04 'O=C(O)C1NC(=O)CC1' PCA SMILES_CANONICAL CACTVS 3.341 'OC(=O)[C@@H]1CCC(=O)N1' PCA SMILES CACTVS 3.341 'OC(=O)[CH]1CCC(=O)N1' PCA SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 'C1CC(=O)N[C@@H]1C(=O)O' PCA SMILES 'OpenEye OEToolkits' 1.5.0 'C1CC(=O)NC1C(=O)O' PCA InChI InChI 1.03 'InChI=1S/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1' PCA InChIKey InChI 1.03 ODHCTXKNWHHXJC-VKHMYHEASA-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 PCA 'SYSTEMATIC NAME' ACDLabs 10.04 5-oxo-L-proline PCA 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 '(2S)-5-oxopyrrolidine-2-carboxylic 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 PCA 'Create component' 1999-07-08 RCSB PCA 'Modify descriptor' 2011-06-04 RCSB PCA 'Modify parent residue' 2019-11-14 RCSB PCA 'Modify backbone' 2023-11-03 PDBE PCA 'Modify PCM' 2024-09-27 PDBE # loop_ _pdbx_chem_comp_pcm.pcm_id _pdbx_chem_comp_pcm.comp_id _pdbx_chem_comp_pcm.modified_residue_id _pdbx_chem_comp_pcm.type _pdbx_chem_comp_pcm.category _pdbx_chem_comp_pcm.position _pdbx_chem_comp_pcm.polypeptide_position _pdbx_chem_comp_pcm.comp_id_linking_atom _pdbx_chem_comp_pcm.modified_residue_id_linking_atom _pdbx_chem_comp_pcm.uniprot_specific_ptm_accession _pdbx_chem_comp_pcm.uniprot_generic_ptm_accession 1 PCA GLN 'Pyrrolidone carboxylic acid' 'Named protein modification' 'Amino-acid side chain and backbone' N-terminal ? ? PTM-0261 ? 2 PCA GLU 'Pyrrolidone carboxylic acid' 'Named protein modification' 'Amino-acid side chain and backbone' N-terminal ? ? PTM-0262 ? # _pdbe_chem_comp_drugbank_details.comp_id PCA _pdbe_chem_comp_drugbank_details.drugbank_id DB03088 _pdbe_chem_comp_drugbank_details.type 'small molecule' _pdbe_chem_comp_drugbank_details.name 'Pidolic acid' _pdbe_chem_comp_drugbank_details.description 'Pidolic acid is a naturally occurring but little-studied amino acid derivative that can be formed enzymatically or non-enzymatically and participates as a biological intermediate with unique pharmacodynamics in various chemical pathways [A32991, L2729]. Elevations of the acid in blood levels may be associated with problems of glutamine or glutathione metabolism [L2729]. Pidolic acid, in general, is found in large quantities in brain tissue and other tissues in bound form, like skin [L2729]. There are currently little to no medicines available that are clinically approved or marketed for employing pidolic acid as an active ingredient for any particular formal indication. Although pidolic acid is included in some over-the-counter, non-prescription dietary supplements for the proposed purpose of facilitating cognitive or memory enhancement, most available research suggest exercising caution in their recommendation as much more research is necessary [A32981, A32982].' _pdbe_chem_comp_drugbank_details.cas_number 98-79-3 _pdbe_chem_comp_drugbank_details.mechanism_of_action 'Pidolic acid is an endogenous amino acid derivative where the free amino group of glutamic acid or glutamine cyclizes to generate a lactam [A32991, L2729]. Subsequently it is also a metabolite in the glutathione cycle that is converted to glutamate by the enzyme 5-oxoprolinase [A32991, L2729]. Moreover, N-terminal glutamic acid and glutamine residues can either spontaneously cyclize to become pidolic acid, or be enzymatically transformed by glutaminyl cyclases [A32991, L2729]. In particular, this is ultimately a form of N-termini that is a challenge for N-terminal sequencing using Edman chemistry, which necessitates a free primary amino group that is not present in pidolic acid [A32991, L2729]. Pyroglutamate aminopeptidase can restore a free N-terminus by cleaving off the pyroglutamate residue, however [A32991, L2729]. Additionally, pidolic acid and certain pidolic acid salts like calcium, magnesium, and potassium pidolic acid are sometimes used as skin or hair conditioning agents because of their humectant effects [F53]. In such humectant formulations, hydrophilic amine, hydroxyl, or even carboxyl groups possess high affinities for forming hydrogen bonds with molecules of water, allowing the hygroscopic formulations to attract and retain moisture in the air nearby through absorption, therefore drawing the water vapor into the formulation.' # loop_ _pdbe_chem_comp_synonyms.comp_id _pdbe_chem_comp_synonyms.name _pdbe_chem_comp_synonyms.provenance _pdbe_chem_comp_synonyms.type PCA '(�)-2-pyrrolidone-5-carboxylic acid' DrugBank ? PCA '(S)-(�)-2-pyrrolidone-5-carboxylic acid' DrugBank ? PCA '(S)-pyroglutamic acid' DrugBank ? PCA 5-L-oxoproline DrugBank ? PCA '5-oxo-2-pyrrolidinecarboxylic acid' DrugBank ? PCA 5-oxo-L-proline DrugBank ? PCA '5-Pyrrolidone-2-carboxylic acid' DrugBank ? PCA 'Glutimic acid' DrugBank ? PCA 'L-5-Pyrrolidone-2-carboxylic acid' DrugBank ? PCA 'L-pyroglutamic acid' DrugBank ? PCA 'L-pyrrolidone carboxylic acid' DrugBank ? PCA PCA DrugBank ? PCA 'Pidolic acid' DrugBank ? PCA 'Pyroglutamic acid' DrugBank ? # _pdbe_chem_comp_drugbank_classification.comp_id PCA _pdbe_chem_comp_drugbank_classification.drugbank_id DB03088 _pdbe_chem_comp_drugbank_classification.parent 'Alpha amino acids and derivatives' _pdbe_chem_comp_drugbank_classification.kingdom 'Organic compounds' _pdbe_chem_comp_drugbank_classification.class 'Carboxylic acids and derivatives' _pdbe_chem_comp_drugbank_classification.superclass 'Organic acids and derivatives' _pdbe_chem_comp_drugbank_classification.description 'This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.' # loop_ _pdbe_chem_comp_drugbank_targets.comp_id _pdbe_chem_comp_drugbank_targets.drugbank_id _pdbe_chem_comp_drugbank_targets.name _pdbe_chem_comp_drugbank_targets.organism _pdbe_chem_comp_drugbank_targets.uniprot_id _pdbe_chem_comp_drugbank_targets.pharmacologically_active _pdbe_chem_comp_drugbank_targets.ordinal PCA DB03088 'Pancreatic alpha-amylase' Humans P04746 yes 1 PCA DB03088 'Alpha-amylase 2B' Humans P19961 unknown 2 PCA DB03088 'Vascular endothelial growth factor A, long form' Humans P15692 unknown 3 PCA DB03088 'Immunoglobulin lambda constant 1' Humans P0CG04 unknown 4 PCA DB03088 'Immunoglobulin lambda variable 2-8' Humans P01709 unknown 5 PCA DB03088 'Trefoil factor 2' Humans Q03403 unknown 6 PCA DB03088 'Cytochrome c2' 'Rhodopseudomonas palustris (strain ATCC BAA-98 / CGA009)' P00091 unknown 7 PCA DB03088 'Disintegrin and metalloproteinase domain-containing protein 28' Humans Q9UKQ2 unknown 8 PCA DB03088 Endo-1,4-beta-xylanase 'Bacillus agaradhaerens' Q7SIE2 unknown 9 PCA DB03088 'Copper-containing nitrite reductase' 'Alcaligenes xylosoxydans xylosoxydans' O68601 unknown 10 PCA DB03088 'Keratin-associated protein 5-2' Humans Q701N4 unknown 11 PCA DB03088 'Hypocretin neuropeptide precursor' Humans O43612 unknown 12 PCA DB03088 'C-C motif chemokine 8' Humans P80075 unknown 13 PCA DB03088 "Cytochrome c'" 'Alcaligenes xylosoxydans xylosoxydans' P00138 unknown 14 # loop_ _software.name _software.version _software.description rdkit 2023.09.6 'Core functionality.' pdbeccdutils 0.8.6 'Wrapper to provide 2D templates and molecular fragments.' # loop_ _pdbe_chem_comp_atom_depiction.comp_id _pdbe_chem_comp_atom_depiction.atom_id _pdbe_chem_comp_atom_depiction.element _pdbe_chem_comp_atom_depiction.model_Cartn_x _pdbe_chem_comp_atom_depiction.model_Cartn_y _pdbe_chem_comp_atom_depiction.pdbx_ordinal PCA N N 5.640 -0.630 1 PCA CA C 6.854 0.252 2 PCA CB C 6.390 1.679 3 PCA CG C 4.890 1.679 4 PCA CD C 4.427 0.252 5 PCA OE O 3.000 -0.211 6 PCA C C 8.280 -0.211 7 PCA O O 9.395 0.792 8 PCA OXT O 8.592 -1.679 9 # loop_ _pdbe_chem_comp_bond_depiction.comp_id _pdbe_chem_comp_bond_depiction.atom_id_1 _pdbe_chem_comp_bond_depiction.atom_id_2 _pdbe_chem_comp_bond_depiction.value_order _pdbe_chem_comp_bond_depiction.bond_dir _pdbe_chem_comp_bond_depiction.pdbx_ordinal PCA N CA SINGLE NONE 1 PCA N CD SINGLE NONE 2 PCA CA CB SINGLE NONE 3 PCA CA C SINGLE BEGINWEDGE 4 PCA CB CG SINGLE NONE 5 PCA CG CD SINGLE NONE 6 PCA CD OE DOUBLE NONE 7 PCA C O DOUBLE NONE 8 PCA C OXT SINGLE NONE 9 # loop_ _pdbe_chem_comp_substructure.comp_id _pdbe_chem_comp_substructure.substructure_name _pdbe_chem_comp_substructure.id _pdbe_chem_comp_substructure.substructure_type _pdbe_chem_comp_substructure.substructure_smiles _pdbe_chem_comp_substructure.substructure_inchis _pdbe_chem_comp_substructure.substructure_inchikeys PCA MurckoScaffold S1 scaffold O=C1CCCN1 InChI=1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6) HNJBEVLQSNELDL-UHFFFAOYSA-N PCA amide F1 fragment CC(N)=O InChI=1S/C2H5NO/c1-2(3)4/h1H3,(H2,3,4) DLFVBJFMPXGRIB-UHFFFAOYSA-N PCA peptide F2 fragment NCC=O InChI=1S/C2H5NO/c3-1-2-4/h2H,1,3H2 LYIIBVSRGJSHAV-UHFFFAOYSA-N # loop_ _pdbe_chem_comp_substructure_mapping.comp_id _pdbe_chem_comp_substructure_mapping.atom_id _pdbe_chem_comp_substructure_mapping.substructure_id _pdbe_chem_comp_substructure_mapping.substructure_ordinal PCA N S1 1 PCA CA S1 1 PCA CB S1 1 PCA CG S1 1 PCA CD S1 1 PCA OE S1 1 PCA N F1 1 PCA CD F1 1 PCA OE F1 1 PCA CG F1 1 PCA O F2 1 PCA C F2 1 PCA CA F2 1 PCA N F2 1 # _pdbe_chem_comp_rdkit_properties.comp_id PCA _pdbe_chem_comp_rdkit_properties.exactmw 129.043 _pdbe_chem_comp_rdkit_properties.amw 129.115 _pdbe_chem_comp_rdkit_properties.lipinskiHBA 4 _pdbe_chem_comp_rdkit_properties.lipinskiHBD 2 _pdbe_chem_comp_rdkit_properties.NumRotatableBonds 1 _pdbe_chem_comp_rdkit_properties.NumHBD 2 _pdbe_chem_comp_rdkit_properties.NumHBA 3 _pdbe_chem_comp_rdkit_properties.NumHeavyAtoms 9 _pdbe_chem_comp_rdkit_properties.NumAtoms 16 _pdbe_chem_comp_rdkit_properties.NumHeteroatoms 4 _pdbe_chem_comp_rdkit_properties.NumAmideBonds 1 _pdbe_chem_comp_rdkit_properties.FractionCSP3 0.600 _pdbe_chem_comp_rdkit_properties.NumRings 1 _pdbe_chem_comp_rdkit_properties.NumAromaticRings 0 _pdbe_chem_comp_rdkit_properties.NumAliphaticRings 1 _pdbe_chem_comp_rdkit_properties.NumSaturatedRings 1 _pdbe_chem_comp_rdkit_properties.NumHeterocycles 1 _pdbe_chem_comp_rdkit_properties.NumAromaticHeterocycles 0 _pdbe_chem_comp_rdkit_properties.NumSaturatedHeterocycles 1 _pdbe_chem_comp_rdkit_properties.NumAliphaticHeterocycles 1 _pdbe_chem_comp_rdkit_properties.NumSpiroAtoms 0 _pdbe_chem_comp_rdkit_properties.NumBridgeheadAtoms 0 _pdbe_chem_comp_rdkit_properties.NumAtomStereoCenters 1 _pdbe_chem_comp_rdkit_properties.NumUnspecifiedAtomStereoCenters 0 _pdbe_chem_comp_rdkit_properties.labuteASA 61.840 _pdbe_chem_comp_rdkit_properties.tpsa 66.400 _pdbe_chem_comp_rdkit_properties.CrippenClogP -0.650 _pdbe_chem_comp_rdkit_properties.CrippenMR 28.800 _pdbe_chem_comp_rdkit_properties.chi0v 4.172 _pdbe_chem_comp_rdkit_properties.chi1v 2.060 _pdbe_chem_comp_rdkit_properties.chi2v 0.695 _pdbe_chem_comp_rdkit_properties.chi3v 0.695 _pdbe_chem_comp_rdkit_properties.chi4v 0.367 _pdbe_chem_comp_rdkit_properties.chi0n 11.172 _pdbe_chem_comp_rdkit_properties.chi1n 5.415 _pdbe_chem_comp_rdkit_properties.chi2n 0.695 _pdbe_chem_comp_rdkit_properties.chi3n 0.695 _pdbe_chem_comp_rdkit_properties.chi4n 0.367 _pdbe_chem_comp_rdkit_properties.hallKierAlpha -1.060 _pdbe_chem_comp_rdkit_properties.kappa1 1.713 _pdbe_chem_comp_rdkit_properties.kappa2 2.046 _pdbe_chem_comp_rdkit_properties.kappa3 1.188 _pdbe_chem_comp_rdkit_properties.Phi 0.389 # loop_ _pdbe_chem_comp_external_mappings.comp_id _pdbe_chem_comp_external_mappings.source _pdbe_chem_comp_external_mappings.resource _pdbe_chem_comp_external_mappings.resource_id PCA UniChem ChEMBL CHEMBL397976 PCA UniChem DrugBank DB03088 PCA UniChem 'KEGG LIGAND' C01879 PCA UniChem ChEBI 18183 PCA UniChem ZINC ZINC000003598263 PCA UniChem eMolecules 531281 PCA UniChem fdasrs SZB83O1W42 PCA UniChem HMDB HMDB0000267 PCA UniChem NMRShiftDB 60019466 PCA UniChem ACTor 16891-48-8 PCA UniChem Nikkaji J4.959J PCA UniChem MetaboLights MTBLC18183 PCA UniChem BRENDA 1024 PCA UniChem BRENDA 115935 PCA UniChem BRENDA 115936 PCA UniChem BRENDA 121007 PCA UniChem BRENDA 1355 PCA UniChem BRENDA 29599 PCA UniChem BRENDA 3001 PCA UniChem BRENDA 3609 PCA UniChem BRENDA 44292 PCA UniChem BRENDA 44752 PCA UniChem BRENDA 96022 PCA UniChem ChemicalBook CB9197008 PCA UniChem ClinicalTrials 'L-PYROGLUTAMIC ACID' PCA UniChem ClinicalTrials 'MAGNESIUM PIDOLATE' PCA UniChem ClinicalTrials 'PIDOLIC ACID' PCA UniChem ClinicalTrials 'PYROGLUTAMIC ACID' PCA UniChem rxnorm 'MAGNESIUM PIDOLATE' PCA UniChem rxnorm PYROGLUTAMATE PCA UniChem MedChemExpress HY-76082 PCA UniChem 'Probes And Drugs' PD000152 PCA UniChem CCDC LPYGLU PCA UniChem SureChEMBL SCHEMBL15790 PCA UniChem 'PubChem TPHARMA' 14747635 PCA UniChem 'PubChem TPHARMA' 15910420 PCA UniChem 'PubChem TPHARMA' 16201698 PCA UniChem PubChem 7405 PCA UniChem Mcule MCULE-4204877494 PCA UniChem Mcule MCULE-6422141688 PCA UniChem 'EPA CompTox Dashboard' DTXSID6046260 # loop_ _pdbe_chem_comp_rdkit_conformer.comp_id _pdbe_chem_comp_rdkit_conformer.atom_id _pdbe_chem_comp_rdkit_conformer.Cartn_x_rdkit _pdbe_chem_comp_rdkit_conformer.Cartn_y_rdkit _pdbe_chem_comp_rdkit_conformer.Cartn_z_rdkit _pdbe_chem_comp_rdkit_conformer.rdkit_method _pdbe_chem_comp_rdkit_conformer.rdkit_ordinal PCA N 0.187 0.785 1.102 ETKDGv3 1 PCA CA 0.560 -0.506 0.554 ETKDGv3 2 PCA CB -0.678 -1.006 -0.233 ETKDGv3 3 PCA CG -1.704 0.139 -0.245 ETKDGv3 4 PCA CD -1.096 1.148 0.644 ETKDGv3 5 PCA OE -1.651 2.233 0.960 ETKDGv3 6 PCA C 1.758 -0.356 -0.337 ETKDGv3 7 PCA O 2.733 -1.144 -0.219 ETKDGv3 8 PCA OXT 1.781 0.637 -1.313 ETKDGv3 9 PCA H 0.786 1.370 1.726 ETKDGv3 10 PCA HA 0.790 -1.204 1.389 ETKDGv3 11 PCA HB2 -0.425 -1.312 -1.273 ETKDGv3 12 PCA HB3 -1.114 -1.888 0.286 ETKDGv3 13 PCA HG2 -2.686 -0.194 0.155 ETKDGv3 14 PCA HG3 -1.820 0.557 -1.268 ETKDGv3 15 PCA HXT 2.579 0.742 -1.928 ETKDGv3 16 #