data_EJJ
# 
_chem_comp.id                                    EJJ 
_chem_comp.name                                  N-CARBAMOYL-GLYCINE 
_chem_comp.type                                  "PEPTIDE LINKING" 
_chem_comp.pdbx_type                             ATOMP 
_chem_comp.formula                               "C3 H6 N2 O3" 
_chem_comp.mon_nstd_parent_comp_id               GLY 
_chem_comp.pdbx_synonyms                         "2-(aminocarbonylamino)ethanoic acid" 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2024-01-22 
_chem_comp.pdbx_modified_date                    2024-12-20 
_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                        118.091 
_chem_comp.one_letter_code                       G 
_chem_comp.three_letter_code                     EJJ 
_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        ? 
_chem_comp.pdbx_subcomponent_list                ? 
_chem_comp.pdbx_processing_site                  PDBE 
_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_n_terminal_atom_flag 
_chem_comp_atom.pdbx_backbone_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 
EJJ N1  N1  N 0 1 N N N N N N -2.374 1.133  -0.743 2.842  -0.868 -0.000 N1  EJJ 1  
EJJ C1  C1  C 0 1 N N N N N N -1.608 0.043  -0.690 1.854  0.049  -0.000 C1  EJJ 2  
EJJ O1  O1  O 0 1 N N N N N N -2.074 -1.077 -0.914 2.125  1.234  0.000  O1  EJJ 3  
EJJ N   N   N 0 1 N N N Y Y N -0.306 0.213  -0.383 0.566  -0.348 -0.000 N   EJJ 4  
EJJ CA  CA  C 0 1 N N N N Y N 0.606  -0.894 -0.299 -0.508 0.648  0.000  CA  EJJ 5  
EJJ C   C   C 0 1 N N N N Y Y 2.013  -0.498 0.057  -1.842 -0.051 0.000  C   EJJ 6  
EJJ OXT OXT O 0 1 N Y N N Y Y 2.091  0.034  1.250  -2.977 0.667  0.000  OXT EJJ 7  
EJJ O   O   O 0 1 N N N N Y Y 2.952  -0.657 -0.683 -1.892 -1.259 -0.000 O   EJJ 8  
EJJ H1  H1  H 0 1 N N N N N N -3.345 1.051  -0.968 3.769  -0.583 -0.000 H1  EJJ 9  
EJJ H2  H2  H 0 1 N N N N N N -1.977 2.032  -0.558 2.626  -1.814 0.004  H2  EJJ 10 
EJJ H   H   H 0 1 N N N Y Y N 0.035  1.137  -0.209 0.350  -1.294 -0.000 H   EJJ 11 
EJJ HA2 HA2 H 0 1 N N N N Y N 0.237  -1.589 0.469  -0.424 1.272  0.890  HA2 EJJ 12 
EJJ HA3 HA3 H 0 1 N N N N Y N 0.625  -1.402 -1.275 -0.424 1.272  -0.890 HA3 EJJ 13 
EJJ HXT HXT H 0 1 N Y N N Y Y 2.993  0.270  1.434  -3.808 0.174  0.000  HXT EJJ 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 
EJJ N1  C1  SING N N 1  
EJJ C1  O1  DOUB N N 2  
EJJ C1  N   SING N N 3  
EJJ N   CA  SING N N 4  
EJJ CA  C   SING N N 5  
EJJ C   OXT SING N N 6  
EJJ C   O   DOUB N N 7  
EJJ N1  H1  SING N N 8  
EJJ N1  H2  SING N N 9  
EJJ N   H   SING N N 10 
EJJ CA  HA2 SING N N 11 
EJJ CA  HA3 SING N N 12 
EJJ 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 
EJJ InChI            InChI                1.06  "InChI=1S/C3H6N2O3/c4-3(8)5-1-2(6)7/h1H2,(H,6,7)(H3,4,5,8)" 
EJJ InChIKey         InChI                1.06  KZVRXPPUJQRGFN-UHFFFAOYSA-N                                 
EJJ SMILES_CANONICAL CACTVS               3.385 "NC(=O)NCC(O)=O"                                            
EJJ SMILES           CACTVS               3.385 "NC(=O)NCC(O)=O"                                            
EJJ SMILES_CANONICAL "OpenEye OEToolkits" 2.0.7 "C(C(=O)O)NC(=O)N"                                          
EJJ SMILES           "OpenEye OEToolkits" 2.0.7 "C(C(=O)O)NC(=O)N"                                          
# 
_pdbx_chem_comp_identifier.comp_id           EJJ 
_pdbx_chem_comp_identifier.type              "SYSTEMATIC NAME" 
_pdbx_chem_comp_identifier.program           "OpenEye OEToolkits" 
_pdbx_chem_comp_identifier.program_version   2.0.7 
_pdbx_chem_comp_identifier.identifier        "2-(aminocarbonylamino)ethanoic 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 
EJJ "Create component"   2024-02-14 PDBE 
EJJ "Modify descriptor"  2024-02-14 PDBE 
EJJ "Other modification" 2024-02-14 PDBE 
EJJ "Modify PCM"         2024-09-27 PDBE 
EJJ "Initial release"    2024-12-25 RCSB 
# 
_pdbx_chem_comp_synonyms.ordinal      1 
_pdbx_chem_comp_synonyms.comp_id      EJJ 
_pdbx_chem_comp_synonyms.name         "2-(aminocarbonylamino)ethanoic acid" 
_pdbx_chem_comp_synonyms.provenance   PDB 
_pdbx_chem_comp_synonyms.type         ? 
# 
_pdbx_chem_comp_pcm.pcm_id                             1 
_pdbx_chem_comp_pcm.comp_id                            EJJ 
_pdbx_chem_comp_pcm.modified_residue_id                GLY 
_pdbx_chem_comp_pcm.type                               Carbamoylation 
_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      ? 
# 
