data_HSL
# 
_chem_comp.id                                    HSL 
_chem_comp.name                                  "HOMOSERINE LACTONE" 
_chem_comp.type                                  "L-PEPTIDE LINKING" 
_chem_comp.pdbx_type                             ATOMP 
_chem_comp.formula                               "C4 H7 N O2" 
_chem_comp.mon_nstd_parent_comp_id               SER 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2001-11-02 
_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                        101.104 
_chem_comp.one_letter_code                       S 
_chem_comp.three_letter_code                     HSL 
_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        2BR6 
_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 
HSL N   N   N 0 1 N N N Y Y N 9.025 20.909 13.586 1.246  1.580  -0.382 N   HSL 1  
HSL CA  CA  C 0 1 N N S Y N N 8.697 22.129 13.455 0.344  0.769  0.447  CA  HSL 2  
HSL C   C   C 0 1 N N N Y N Y 9.212 23.085 12.500 0.455  -0.693 0.069  C   HSL 3  
HSL O   O   O 0 1 N N N Y N Y 9.414 22.926 11.295 1.451  -1.367 0.187  O   HSL 4  
HSL CB  CB  C 0 1 N N N N N N 8.043 22.874 14.659 -1.128 1.140  0.162  CB  HSL 5  
HSL CG  CG  C 0 1 N N N N N N 8.719 24.234 14.576 -1.793 -0.249 0.028  CG  HSL 6  
HSL OD  OD  O 0 1 N N N N N N 9.411 24.344 13.239 -0.717 -1.127 -0.415 OD  HSL 7  
HSL H   H   H 0 1 N N N Y Y N 9.111 20.488 12.683 2.186  1.295  -0.153 H   HSL 8  
HSL H2  HN2 H 0 1 N Y N Y Y N 9.900 20.849 14.067 1.085  1.307  -1.339 H2  HSL 9  
HSL HA  HA  H 0 1 N N N Y N N 8.067 21.553 12.761 0.573  0.908  1.503  HA  HSL 10 
HSL HB2 1HB H 0 1 N N N N N N 6.950 22.946 14.560 -1.556 1.697  0.995  HB2 HSL 11 
HSL HB3 2HB H 0 1 N N N N N N 8.180 22.366 15.625 -1.214 1.702  -0.768 HB3 HSL 12 
HSL HG2 1HG H 0 1 N N N N N N 7.967 25.031 14.673 -2.182 -0.580 0.992  HG2 HSL 13 
HSL HG3 2HG H 0 1 N N N N N N 9.452 24.340 15.389 -2.591 -0.219 -0.715 HG3 HSL 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 
HSL N  CA  SING N N 1  
HSL N  H   SING N N 2  
HSL N  H2  SING N N 3  
HSL CA C   SING N N 4  
HSL CA CB  SING N N 5  
HSL CA HA  SING N N 6  
HSL C  O   DOUB N N 7  
HSL C  OD  SING N N 8  
HSL CB CG  SING N N 9  
HSL CB HB2 SING N N 10 
HSL CB HB3 SING N N 11 
HSL CG OD  SING N N 12 
HSL CG HG2 SING N N 13 
HSL CG HG3 SING N N 14 
# 
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 
HSL SMILES           ACDLabs              10.04 O=C1OCCC1N                                                
HSL SMILES_CANONICAL CACTVS               3.341 "N[C@H]1CCOC1=O"                                          
HSL SMILES           CACTVS               3.341 "N[CH]1CCOC1=O"                                           
HSL SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 "C1COC(=O)[C@H]1N"                                        
HSL SMILES           "OpenEye OEToolkits" 1.5.0 "C1COC(=O)C1N"                                            
HSL InChI            InChI                1.03  "InChI=1S/C4H7NO2/c5-3-1-2-7-4(3)6/h3H,1-2,5H2/t3-/m0/s1" 
HSL InChIKey         InChI                1.03  QJPWUUJVYOJNMH-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 
HSL "SYSTEMATIC NAME" ACDLabs              10.04 "(3S)-3-aminodihydrofuran-2(3H)-one" 
HSL "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 "(3S)-3-aminooxolan-2-one"           
# 
loop_
_pdbx_chem_comp_audit.comp_id 
_pdbx_chem_comp_audit.action_type 
_pdbx_chem_comp_audit.date 
_pdbx_chem_comp_audit.processing_site 
HSL "Create component"  2001-11-02 RCSB 
HSL "Modify descriptor" 2011-06-04 RCSB 
HSL "Modify backbone"   2023-11-03 PDBE 
HSL "Modify PCM"        2024-09-27 PDBE 
# 
_pdbx_chem_comp_pcm.pcm_id                             1 
_pdbx_chem_comp_pcm.comp_id                            HSL 
_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 side chain and backbone" 
_pdbx_chem_comp_pcm.polypeptide_position               C-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      ? 
# 
