data_A1BX4
# 
_chem_comp.id                                    A1BX4 
_chem_comp.name                                  N~6~-hydroxy-L-lysine 
_chem_comp.type                                  "L-peptide linking" 
_chem_comp.pdbx_type                             ATOMP 
_chem_comp.formula                               "C6 H14 N2 O3" 
_chem_comp.mon_nstd_parent_comp_id               LYS 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2025-02-25 
_chem_comp.pdbx_modified_date                    2025-08-15 
_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                        162.187 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     A1BX4 
_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        9NH9 
_chem_comp.pdbx_subcomponent_list                ? 
_chem_comp.pdbx_processing_site                  RCSB 
_chem_comp.pdbx_pcm                              ? 
# 
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 
A1BX4 CG   C1  C 0 1 N N N N N N 62.434 -12.012 -1.674 -0.548 -0.262 -0.375 CG   A1BX4 1  
A1BX4 CD   C2  C 0 1 N N N N N N 63.289 -11.717 -0.457 -1.746 0.385  0.322  CD   A1BX4 2  
A1BX4 CE   C3  C 0 1 N N N N N N 63.657 -10.244 -0.332 -3.042 -0.172 -0.271 CE   A1BX4 3  
A1BX4 CB   C4  C 0 1 N N N N N N 62.632 -13.468 -2.074 0.748  0.294  0.218  CB   A1BX4 4  
A1BX4 CA   C5  C 0 1 N N S N Y N 62.106 -13.849 -3.459 1.947  -0.353 -0.478 CA   A1BX4 5  
A1BX4 C    C6  C 0 1 N N N N Y Y 61.517 -15.257 -3.323 3.220  0.284  0.018  C    A1BX4 6  
A1BX4 NZ   N1  N 0 1 N N N N N N 65.079 -10.156 -0.070 -4.193 0.449  0.398  NZ   A1BX4 7  
A1BX4 N    N2  N 0 1 N N N Y Y N 61.095 -12.919 -3.934 1.970  -1.791 -0.179 N    A1BX4 8  
A1BX4 O05  O1  O 0 1 N N N N N N 65.313 -9.136  0.875  -5.453 -0.061 -0.145 O05  A1BX4 9  
A1BX4 O    O2  O 0 1 N N N N Y Y 60.261 -15.447 -3.394 3.885  -0.272 0.860  O    A1BX4 10 
A1BX4 OXT  O3  O 0 1 N Y N N Y Y 62.305 -16.222 -3.113 3.615  1.468  -0.476 OXT  A1BX4 11 
A1BX4 HG3  H1  H 0 1 N N N N N N 61.375 -11.836 -1.433 -0.580 -1.342 -0.226 HG3  A1BX4 12 
A1BX4 HG2  H2  H 0 1 N N N N N N 62.735 -11.357 -2.505 -0.584 -0.041 -1.441 HG2  A1BX4 13 
A1BX4 HD2  H3  H 0 1 N N N N N N 64.216 -12.305 -0.529 -1.710 0.163  1.388  HD2  A1BX4 14 
A1BX4 HD3  H4  H 0 1 N N N N N N 62.733 -12.017 0.443  -1.713 1.464  0.174  HD3  A1BX4 15 
A1BX4 HE2  H5  H 0 1 N N N N N N 63.417 -9.719  -1.268 -3.079 0.049  -1.337 HE2  A1BX4 16 
A1BX4 HE3  H6  H 0 1 N N N N N N 63.096 -9.789  0.498  -3.075 -1.252 -0.123 HE3  A1BX4 17 
A1BX4 HB2  H7  H 0 1 N N N N N N 63.711 -13.682 -2.051 0.781  1.374  0.070  HB2  A1BX4 18 
A1BX4 HB3  H8  H 0 1 N N N N N N 62.118 -14.096 -1.332 0.785  0.073  1.285  HB3  A1BX4 19 
A1BX4 HA   H9  H 0 1 N N N N Y N 62.949 -13.881 -4.165 1.864  -0.207 -1.555 HA   A1BX4 20 
A1BX4 HZ1  H10 H 0 1 N N N N N N 65.407 -11.029 0.291  -4.148 0.313  1.397  HZ1  A1BX4 21 
A1BX4 H    H11 H 0 1 N N N Y Y N 60.779 -13.203 -4.839 2.714  -2.252 -0.679 H    A1BX4 22 
A1BX4 H2   H12 H 0 1 N Y N Y Y N 60.323 -12.913 -3.298 2.046  -1.952 0.814  H2   A1BX4 23 
A1BX4 H051 H14 H 0 0 N N N N N N 66.245 -9.074  1.051  -6.241 0.320  0.266  H051 A1BX4 24 
A1BX4 HXT  H15 H 0 1 N Y N N Y Y 61.806 -17.026 -3.030 4.438  1.836  -0.127 HXT  A1BX4 25 
# 
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 
A1BX4 CE  CD   SING N N 1  
A1BX4 NZ  CE   SING N N 2  
A1BX4 O05 NZ   SING N N 3  
A1BX4 CD  CG   SING N N 4  
A1BX4 CB  CG   SING N N 5  
A1BX4 CA  CB   SING N N 6  
A1BX4 N   CA   SING N N 7  
A1BX4 C   CA   SING N N 8  
A1BX4 O   C    DOUB N N 9  
A1BX4 OXT C    SING N N 10 
A1BX4 CG  HG3  SING N N 11 
A1BX4 CG  HG2  SING N N 12 
A1BX4 CD  HD2  SING N N 13 
A1BX4 CD  HD3  SING N N 14 
A1BX4 CE  HE2  SING N N 15 
A1BX4 CE  HE3  SING N N 16 
A1BX4 CB  HB2  SING N N 17 
A1BX4 CB  HB3  SING N N 18 
A1BX4 CA  HA   SING N N 19 
A1BX4 NZ  HZ1  SING N N 20 
A1BX4 N   H    SING N N 21 
A1BX4 N   H2   SING N N 22 
A1BX4 O05 H051 SING N N 23 
A1BX4 OXT HXT  SING N N 24 
# 
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 
A1BX4 SMILES           ACDLabs              14.52   "NC(CCCCNO)C(=O)O"                                                                
A1BX4 InChI            InChI                1.06    "InChI=1S/C6H14N2O3/c7-5(6(9)10)3-1-2-4-8-11/h5,8,11H,1-4,7H2,(H,9,10)/t5-/m0/s1" 
A1BX4 InChIKey         InChI                1.06    FZQOIMPLZAYIKU-YFKPBYRVSA-N                                                       
A1BX4 SMILES_CANONICAL CACTVS               3.385   "N[C@@H](CCCCNO)C(O)=O"                                                           
A1BX4 SMILES           CACTVS               3.385   "N[CH](CCCCNO)C(O)=O"                                                             
A1BX4 SMILES_CANONICAL "OpenEye OEToolkits" 3.1.0.0 "C(CCNO)C[C@@H](C(=O)O)N"                                                         
A1BX4 SMILES           "OpenEye OEToolkits" 3.1.0.0 "C(CCNO)CC(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 
A1BX4 "SYSTEMATIC NAME" ACDLabs              14.52   N~6~-hydroxy-L-lysine                             
A1BX4 "SYSTEMATIC NAME" "OpenEye OEToolkits" 3.1.0.0 "(2~{S})-2-azanyl-6-(oxidanylamino)hexanoic 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 
A1BX4 "Create component"   2025-02-25 RCSB 
A1BX4 "Other modification" 2025-07-17 RCSB 
A1BX4 "Initial release"    2025-08-20 RCSB 
# 
