data_A1JWF
# 
_chem_comp.id                                    A1JWF 
_chem_comp.name                                  2-Tellurophenealanine 
_chem_comp.type                                  "L-peptide linking" 
_chem_comp.pdbx_type                             ATOMP 
_chem_comp.formula                               "C7 H9 N O2 Te" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         "(2S)-2-azanyl-3-tellurophen-2-yl-propanoic acid" 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2025-12-11 
_chem_comp.pdbx_modified_date                    2025-12-19 
_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                        266.752 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     A1JWF 
_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        9S78 
_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 
A1JWF N   N1  N  0 1 N N N Y Y N 61.437 -135.720 37.729 -2.433 1.502  -0.981 N   A1JWF 1  
A1JWF CA  C1  C  0 1 N N S N Y N 61.056 -135.853 39.118 -2.370 0.168  -0.369 CA  A1JWF 2  
A1JWF CB  C2  C  0 1 N N N N N N 60.365 -137.172 39.291 -1.537 0.234  0.913  CB  A1JWF 3  
A1JWF CG  C3  C  0 1 Y N N N N N 58.895 -136.962 39.182 -0.112 0.583  0.568  CG  A1JWF 4  
A1JWF TE  TE1 TE 0 0 Y N N N N N 57.885 -136.623 37.435 1.645  -0.625 -0.073 TE  A1JWF 5  
A1JWF CE1 C4  C  0 1 Y N N N N N 56.344 -136.570 38.781 2.965  1.164  -0.199 CE1 A1JWF 6  
A1JWF CE2 C5  C  0 1 Y N N N N N 56.809 -136.765 40.003 1.962  2.030  0.191  CE2 A1JWF 7  
A1JWF CD2 C6  C  0 1 Y N N N N N 58.091 -136.987 40.205 0.590  1.772  0.527  CD2 A1JWF 8  
A1JWF C   C7  C  0 1 N N N N Y Y 62.291 -135.870 39.963 -3.763 -0.301 -0.038 C   A1JWF 9  
A1JWF O   O1  O  0 1 N N N N Y Y 63.400 -135.772 39.482 -4.662 0.501  0.060  O   A1JWF 10 
A1JWF H   H1  H  0 1 N N N Y Y N 61.901 -134.845 37.592 -2.924 1.472  -1.862 H   A1JWF 11 
A1JWF H2  H2  H  0 1 N Y N Y Y N 62.054 -136.466 37.480 -2.858 2.167  -0.353 H2  A1JWF 12 
A1JWF HA  H4  H  0 1 N N N N Y N 60.393 -135.031 39.427 -1.908 -0.531 -1.067 HA  A1JWF 13 
A1JWF HB1 H5  H  0 1 N N N N N N 60.698 -137.869 38.508 -1.948 0.996  1.574  HB1 A1JWF 14 
A1JWF HB2 H6  H  0 1 N N N N N N 60.606 -137.589 40.280 -1.563 -0.734 1.413  HB2 A1JWF 15 
A1JWF HE1 H7  H  0 1 N N N N N N 55.306 -136.407 38.530 4.002  1.302  -0.464 HE1 A1JWF 16 
A1JWF HE2 H8  H  0 1 N N N N N N 56.131 -136.742 40.843 2.255  3.068  0.248  HE2 A1JWF 17 
A1JWF HD2 H9  H  0 1 N N N N N N 58.467 -137.185 41.198 0.015  2.647  0.794  HD2 A1JWF 18 
A1JWF OXT O1  O  0 1 N Y N N Y Y 62.087 -136.032 41.246 -4.006 -1.608 0.147  OXT A1JWF 19 
A1JWF HXT H3  H  0 1 N Y N N Y Y 62.922 -136.057 41.699 -4.916 -1.860 0.357  HXT A1JWF 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 
A1JWF TE  CE1 SING Y N 1  
A1JWF TE  CG  SING Y N 2  
A1JWF N   CA  SING N N 3  
A1JWF CE1 CE2 DOUB Y N 4  
A1JWF CA  CB  SING N N 5  
A1JWF CA  C   SING N N 6  
A1JWF CG  CB  SING N N 7  
A1JWF CG  CD2 DOUB Y N 8  
A1JWF O   C   DOUB N N 9  
A1JWF CE2 CD2 SING Y N 10 
A1JWF N   H   SING N N 11 
A1JWF N   H2  SING N N 12 
A1JWF CA  HA  SING N N 13 
A1JWF CB  HB1 SING N N 14 
A1JWF CB  HB2 SING N N 15 
A1JWF CE1 HE1 SING N N 16 
A1JWF CE2 HE2 SING N N 17 
A1JWF CD2 HD2 SING N N 18 
A1JWF C   OXT SING N N 19 
A1JWF OXT HXT SING N N 20 
# 
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 
A1JWF InChI            InChI                1.06  "InChI=1S/C7H9NO2Te/c8-6(7(9)10)4-5-2-1-3-11-5/h1-3,6H,4,8H2,(H,9,10)/t6-/m0/s1" 
A1JWF InChIKey         InChI                1.06  WGRBJSSNKUDAES-LURJTMIESA-N                                                      
A1JWF SMILES_CANONICAL CACTVS               3.385 "N[C@@H](Cc1[te]ccc1)C(O)=O"                                                     
A1JWF SMILES           CACTVS               3.385 "N[CH](Cc1[te]ccc1)C(O)=O"                                                       
A1JWF SMILES_CANONICAL "OpenEye OEToolkits" 2.0.7 "C1=C[Te]C(=C1)C[C@@H](C(=O)O)N"                                                 
A1JWF SMILES           "OpenEye OEToolkits" 2.0.7 "C1=C[Te]C(=C1)CC(C(=O)O)N"                                                      
# 
_pdbx_chem_comp_identifier.comp_id           A1JWF 
_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~{S})-2-azanyl-3-tellurophen-2-yl-propanoic acid" 
# 
_pdbx_chem_comp_synonyms.ordinal      1 
_pdbx_chem_comp_synonyms.comp_id      A1JWF 
_pdbx_chem_comp_synonyms.name         "(2S)-2-azanyl-3-tellurophen-2-yl-propanoic acid" 
_pdbx_chem_comp_synonyms.provenance   PDB 
_pdbx_chem_comp_synonyms.type         ? 
# 
loop_
_pdbx_chem_comp_audit.comp_id 
_pdbx_chem_comp_audit.action_type 
_pdbx_chem_comp_audit.date 
_pdbx_chem_comp_audit.processing_site 
A1JWF "Create component" 2025-12-11 PDBE 
A1JWF "Modify PCM"       2025-12-15 PDBE 
A1JWF "Initial release"  2025-12-24 RCSB 
# 
_pdbx_chem_comp_pcm.pcm_id                             1 
_pdbx_chem_comp_pcm.comp_id                            A1JWF 
_pdbx_chem_comp_pcm.modified_residue_id                ? 
_pdbx_chem_comp_pcm.type                               None 
_pdbx_chem_comp_pcm.category                           "Non-standard residue" 
_pdbx_chem_comp_pcm.position                           "Amino-acid backbone" 
_pdbx_chem_comp_pcm.polypeptide_position               "Any 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      ? 
# 
