data_YL0
# 
_chem_comp.id                                    YL0 
_chem_comp.name                                  "(4R)-4-chloro-L-lysine" 
_chem_comp.type                                  non-polymer 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C6 H13 Cl N2 O2" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2023-12-05 
_chem_comp.pdbx_modified_date                    2025-11-14 
_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                        180.633 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     YL0 
_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        8V6E 
_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 
YL0 C02  C1  C  0 1 N N N N N N 8.493  21.578 -54.340 3.375  0.464  -0.192 C02  YL0 1  
YL0 C03  C2  C  0 1 N N N N N N 8.768  21.090 -55.758 2.058  0.726  0.541  C03  YL0 2  
YL0 C04  C3  C  0 1 N N R N N N 9.924  21.861 -56.387 0.905  0.092  -0.240 C04  YL0 3  
YL0 C06  C4  C  0 1 N N N N N N 10.499 21.087 -57.568 -0.423 0.459  0.425  C06  YL0 4  
YL0 C07  C5  C  0 1 N N S N N N 11.405 21.975 -58.416 -1.581 -0.070 -0.424 C07  YL0 5  
YL0 C09  C6  C  0 1 N N N N N N 12.444 21.116 -59.132 -2.884 0.183  0.290  C09  YL0 6  
YL0 N01  N1  N  0 1 N N N N N N 7.813  22.861 -54.381 4.483  1.073  0.557  N01  YL0 7  
YL0 N08  N2  N  0 1 N N N N N N 10.610 22.707 -59.386 -1.592 0.619  -1.721 N08  YL0 8  
YL0 O10  O1  O  0 1 N N N N N N 13.191 20.347 -58.472 -3.278 -0.636 1.278  O10  YL0 9  
YL0 O11  O2  O  0 1 N N N N N N 12.555 21.182 -60.384 -3.573 1.123  -0.026 O11  YL0 10 
YL0 CL05 CL1 CL 0 0 N N N N N N 11.205 22.092 -55.169 1.099  -1.701 -0.247 CL05 YL0 11 
YL0 H1   H1  H  0 1 N N N N N N 7.859  20.846 -53.819 3.539  -0.611 -0.273 H1   YL0 12 
YL0 H2   H2  H  0 1 N N N N N N 9.446  21.687 -53.801 3.329  0.900  -1.190 H2   YL0 13 
YL0 H3   H3  H  0 1 N N N N N N 7.865  21.234 -56.369 2.105  0.290  1.539  H3   YL0 14 
YL0 H4   H4  H  0 1 N N N N N N 9.023  20.021 -55.727 1.895  1.801  0.621  H4   YL0 15 
YL0 H5   H5  H  0 1 N N N N N N 9.591  22.859 -56.707 0.913  0.462  -1.265 H5   YL0 16 
YL0 H6   H6  H  0 1 N N N N N N 9.672  20.717 -58.192 -0.468 0.013  1.418  H6   YL0 17 
YL0 H7   H7  H  0 1 N N N N N N 11.083 20.235 -57.190 -0.500 1.543  0.509  H7   YL0 18 
YL0 H8   H8  H  0 1 N N N N N N 11.927 22.682 -57.754 -1.456 -1.141 -0.583 H8   YL0 19 
YL0 H9   H9  H  0 1 N N N N N N 7.636  23.175 -53.448 4.507  0.732  1.506  H9   YL0 20 
YL0 H10  H10 H  0 1 N N N N N N 8.389  23.528 -54.853 5.364  0.913  0.093  H10  YL0 21 
YL0 H12  H12 H  0 1 N N N N N N 9.933  23.266 -58.908 -1.707 1.615  -1.601 H12  YL0 22 
YL0 H13  H13 H  0 1 N N N N N N 11.207 23.298 -59.929 -0.756 0.413  -2.247 H13  YL0 23 
YL0 H15  H15 H  0 1 N N N N N N 13.778 19.891 -59.063 -4.121 -0.433 1.706  H15  YL0 24 
# 
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 
YL0 O11 C09  DOUB N N 1  
YL0 N08 C07  SING N N 2  
YL0 C09 O10  SING N N 3  
YL0 C09 C07  SING N N 4  
YL0 C07 C06  SING N N 5  
YL0 C06 C04  SING N N 6  
YL0 C04 C03  SING N N 7  
YL0 C04 CL05 SING N N 8  
YL0 C03 C02  SING N N 9  
YL0 N01 C02  SING N N 10 
YL0 C02 H1   SING N N 11 
YL0 C02 H2   SING N N 12 
YL0 C03 H3   SING N N 13 
YL0 C03 H4   SING N N 14 
YL0 C04 H5   SING N N 15 
YL0 C06 H6   SING N N 16 
YL0 C06 H7   SING N N 17 
YL0 C07 H8   SING N N 18 
YL0 N01 H9   SING N N 19 
YL0 N01 H10  SING N N 20 
YL0 N08 H12  SING N N 21 
YL0 N08 H13  SING N N 22 
YL0 O10 H15  SING N N 23 
# 
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 
YL0 SMILES           ACDLabs              12.01 "ClC(CCN)CC(N)C(=O)O"                                                                  
YL0 InChI            InChI                1.06  "InChI=1S/C6H13ClN2O2/c7-4(1-2-8)3-5(9)6(10)11/h4-5H,1-3,8-9H2,(H,10,11)/t4-,5+/m1/s1" 
YL0 InChIKey         InChI                1.06  RARMVOFXKPZWMG-UHNVWZDZSA-N                                                            
YL0 SMILES_CANONICAL CACTVS               3.385 "NCC[C@@H](Cl)C[C@H](N)C(O)=O"                                                         
YL0 SMILES           CACTVS               3.385 "NCC[CH](Cl)C[CH](N)C(O)=O"                                                            
YL0 SMILES_CANONICAL "OpenEye OEToolkits" 2.0.7 "C(CN)[C@H](C[C@@H](C(=O)O)N)Cl"                                                       
YL0 SMILES           "OpenEye OEToolkits" 2.0.7 "C(CN)C(CC(C(=O)O)N)Cl"                                                                
# 
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 
YL0 "SYSTEMATIC NAME" ACDLabs              12.01 "(4R)-4-chloro-L-lysine"                                  
YL0 "SYSTEMATIC NAME" "OpenEye OEToolkits" 2.0.7 "(2~{S},4~{R})-2,6-bis(azanyl)-4-chloranyl-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 
YL0 "Create component" 2023-12-05 RCSB 
YL0 "Initial release"  2025-11-19 RCSB 
# 
