data_FC0
# 
_chem_comp.id                                    FC0 
_chem_comp.name                                  N-CARBOXY-L-PHENYLALANINE 
_chem_comp.type                                  "L-peptide COOH carboxy terminus" 
_chem_comp.pdbx_type                             ATOMP 
_chem_comp.formula                               "C10 H11 N O4" 
_chem_comp.mon_nstd_parent_comp_id               PHE 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2010-05-11 
_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                         ? 
_chem_comp.formula_weight                        209.199 
_chem_comp.one_letter_code                       F 
_chem_comp.three_letter_code                     FC0 
_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        2XE4 
_chem_comp.pdbx_subcomponent_list                ? 
_chem_comp.pdbx_processing_site                  EBI 
_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 
FC0 CD1 CD1 C 0 1 Y N N N N N -3.531 24.254 67.476 -2.039 0.256  -1.126 CD1 FC0 1  
FC0 CE1 CE1 C 0 1 Y N N N N N -3.745 22.906 67.150 -3.265 0.829  -0.845 CE1 FC0 2  
FC0 CZ  CZ  C 0 1 Y N N N N N -4.413 22.574 65.977 -3.992 0.403  0.251  CZ  FC0 3  
FC0 CE2 CE2 C 0 1 Y N N N N N -4.868 23.596 65.123 -3.492 -0.596 1.066  CE2 FC0 4  
FC0 CD2 CD2 C 0 1 Y N N N N N -4.664 24.947 65.465 -2.266 -1.169 0.784  CD2 FC0 5  
FC0 CG  CG  C 0 1 Y N N N N N -3.997 25.284 66.664 -1.539 -0.743 -0.311 CG  FC0 6  
FC0 CB  CB  C 0 1 N N N N N N -3.772 26.779 67.045 -0.203 -1.367 -0.618 CB  FC0 7  
FC0 CA  CA  C 0 1 N N S Y N N -3.827 27.090 68.584 0.902  -0.585 0.095  CA  FC0 8  
FC0 C   C   C 0 1 N N N Y N Y -3.776 28.637 68.890 2.223  -1.280 -0.110 C   FC0 9  
FC0 O   O   O 0 1 N N N Y N Y -3.564 29.022 70.093 3.131  -0.702 -0.660 O   FC0 10 
FC0 OXT OXT O 0 1 N Y N Y N Y -4.021 29.391 67.932 2.391  -2.542 0.316  OXT FC0 11 
FC0 N   N   N 0 1 N N N Y Y N -5.043 26.566 69.279 0.973  0.771  -0.454 N   FC0 12 
FC0 C1  C1  C 0 1 N N N Y N N -5.093 26.485 70.637 1.471  1.776  0.294  C1  FC0 13 
FC0 O1  O1  O 0 1 N N N Y N N -4.103 26.864 71.301 1.861  1.556  1.424  O1  FC0 14 
FC0 OX0 OX0 O 0 1 N Y N Y N N -6.224 25.964 71.235 1.536  3.022  -0.211 OX0 FC0 15 
FC0 HD1 HD1 H 0 1 N N N N N N -2.991 24.498 68.379 -1.473 0.586  -1.985 HD1 FC0 16 
FC0 HE1 HE1 H 0 1 N N N N N N -3.391 22.127 67.810 -3.655 1.609  -1.482 HE1 FC0 17 
FC0 HZ  HZ  H 0 1 N N N N N N -4.582 21.538 65.723 -4.949 0.851  0.471  HZ  FC0 18 
FC0 HE2 HE2 H 0 1 N N N N N N -5.375 23.344 64.203 -4.060 -0.928 1.923  HE2 FC0 19 
FC0 HD2 HD2 H 0 1 N N N N N N -5.019 25.728 64.809 -1.876 -1.949 1.421  HD2 FC0 20 
FC0 HB1 HB1 H 0 1 N N N N N N -2.775 27.069 66.682 -0.197 -2.401 -0.273 HB1 FC0 21 
FC0 HB2 HB2 H 0 1 N N N N N N -4.597 27.343 66.585 -0.028 -1.342 -1.694 HB2 FC0 22 
FC0 HA  HA  H 0 1 N N N Y N N -2.935 26.573 68.968 0.680  -0.534 1.162  HA  FC0 23 
FC0 H   H   H 0 1 N N N Y Y N -5.831 26.271 68.738 0.661  0.946  -1.355 H   FC0 24 
FC0 HXT HXT H 0 1 N Y N Y N Y -4.026 30.293 68.231 3.256  -2.946 0.162  HXT FC0 25 
FC0 HX0 HX0 H 0 1 N Y N Y N N -6.108 25.952 72.178 1.901  3.710  0.363  HX0 FC0 26 
# 
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 
FC0 CD1 CE1 SING Y N 1  
FC0 CD1 CG  DOUB Y N 2  
FC0 CE1 CZ  DOUB Y N 3  
FC0 CZ  CE2 SING Y N 4  
FC0 CE2 CD2 DOUB Y N 5  
FC0 CD2 CG  SING Y N 6  
FC0 CG  CB  SING N N 7  
FC0 CB  CA  SING N N 8  
FC0 CA  C   SING N N 9  
FC0 CA  N   SING N N 10 
FC0 C   O   DOUB N N 11 
FC0 C   OXT SING N N 12 
FC0 N   C1  SING N N 13 
FC0 C1  O1  DOUB N N 14 
FC0 C1  OX0 SING N N 15 
FC0 CD1 HD1 SING N N 16 
FC0 CE1 HE1 SING N N 17 
FC0 CZ  HZ  SING N N 18 
FC0 CE2 HE2 SING N N 19 
FC0 CD2 HD2 SING N N 20 
FC0 CB  HB1 SING N N 21 
FC0 CB  HB2 SING N N 22 
FC0 CA  HA  SING N N 23 
FC0 N   H   SING N N 24 
FC0 OXT HXT SING N N 25 
FC0 OX0 HX0 SING N N 26 
# 
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 
FC0 SMILES           ACDLabs              10.04 "O=C(O)C(NC(=O)O)Cc1ccccc1"                                                                             
FC0 SMILES_CANONICAL CACTVS               3.352 "OC(=O)N[C@@H](Cc1ccccc1)C(O)=O"                                                                        
FC0 SMILES           CACTVS               3.352 "OC(=O)N[CH](Cc1ccccc1)C(O)=O"                                                                          
FC0 SMILES_CANONICAL "OpenEye OEToolkits" 1.6.1 "c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)O"                                                                      
FC0 SMILES           "OpenEye OEToolkits" 1.6.1 "c1ccc(cc1)CC(C(=O)O)NC(=O)O"                                                                           
FC0 InChI            InChI                1.03  "InChI=1S/C10H11NO4/c12-9(13)8(11-10(14)15)6-7-4-2-1-3-5-7/h1-5,8,11H,6H2,(H,12,13)(H,14,15)/t8-/m0/s1" 
FC0 InChIKey         InChI                1.03  XXGPNEDZNRZWPK-QMMMGPOBSA-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 
FC0 "SYSTEMATIC NAME" ACDLabs              10.04 N-carboxy-L-phenylalanine                       
FC0 "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.6.1 "(2S)-2-(carboxyamino)-3-phenyl-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 
FC0 "Create component"       2010-05-11 EBI  
FC0 "Modify aromatic_flag"   2011-06-04 RCSB 
FC0 "Modify descriptor"      2011-06-04 RCSB 
FC0 "Modify one letter code" 2019-05-07 EBI  
FC0 "Modify backbone"        2023-11-03 PDBE 
FC0 "Modify PCM"             2024-09-27 PDBE 
# 
_pdbx_chem_comp_pcm.pcm_id                             1 
_pdbx_chem_comp_pcm.comp_id                            FC0 
_pdbx_chem_comp_pcm.modified_residue_id                PHE 
_pdbx_chem_comp_pcm.type                               Carboxylation 
_pdbx_chem_comp_pcm.category                           "Named protein modification" 
_pdbx_chem_comp_pcm.position                           "Amino-acid backbone" 
_pdbx_chem_comp_pcm.polypeptide_position               N-terminal 
_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      ? 
# 
