data_LYN
# 
_chem_comp.id                                    LYN 
_chem_comp.name                                  "2,6-DIAMINO-HEXANOIC ACID AMIDE" 
_chem_comp.type                                  "L-PEPTIDE LINKING" 
_chem_comp.pdbx_type                             ATOMP 
_chem_comp.formula                               "C6 H16 N3 O" 
_chem_comp.mon_nstd_parent_comp_id               LYS 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    1 
_chem_comp.pdbx_initial_date                     2000-11-10 
_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                        146.211 
_chem_comp.one_letter_code                       K 
_chem_comp.three_letter_code                     LYN 
_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        1GEA 
_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 
LYN N    N   N 0 1 N N N N N N 31.493 0.002  1.481  1.453  1.781  0.221  N    LYN 1  
LYN CA   CA  C 0 1 N N S N N N 32.397 1.174  1.656  1.419  0.336  0.487  CA   LYN 2  
LYN CB   CB  C 0 1 N N N N N N 31.633 2.308  2.342  0.206  -0.282 -0.211 CB   LYN 3  
LYN CG   CG  C 0 1 N N N N N N 30.480 2.764  1.445  -1.078 0.274  0.409  CG   LYN 4  
LYN CD   CD  C 0 1 N N N N N N 30.117 4.213  1.775  -2.290 -0.345 -0.289 CD   LYN 5  
LYN CE   CE  C 0 1 N N N N N N 30.881 5.156  0.843  -3.574 0.211  0.331  CE   LYN 6  
LYN NZ   NZ  N 1 1 N N N N N N 31.021 6.490  1.492  -4.739 -0.383 -0.339 NZ   LYN 7  
LYN C    C   C 0 1 N N N N N N 33.595 0.769  2.518  2.680  -0.301 -0.038 C    LYN 8  
LYN O    O   O 0 1 N N N N N N 34.193 1.593  3.181  3.343  0.270  -0.878 O    LYN 9  
LYN NT   NT  N 0 1 N N N N N N 33.975 -0.479 2.535  3.070  -1.505 0.425  NT   LYN 10 
LYN H    HN  H 0 1 N N N N N N 31.420 -0.668 2.191  1.520  1.890  -0.780 H    LYN 11 
LYN H2   HN2 H 0 1 N Y N N N N 30.636 0.246  0.983  0.553  2.147  0.492  H2   LYN 12 
LYN HA   HA  H 0 1 N N N N N N 32.745 1.507  0.689  1.346  0.166  1.561  HA   LYN 13 
LYN HB2  HB1 H 0 1 N N N N N N 32.301 3.138  2.516  0.233  -0.036 -1.273 HB2  LYN 14 
LYN HB3  HB2 H 0 1 N N N N N N 31.240 1.958  3.286  0.230  -1.365 -0.088 HB3  LYN 15 
LYN HG2  HG1 H 0 1 N N N N N N 29.621 2.132  1.614  -1.104 0.028  1.470  HG2  LYN 16 
LYN HG3  HG2 H 0 1 N N N N N N 30.781 2.693  0.410  -1.101 1.356  0.286  HG3  LYN 17 
LYN HD2  HD1 H 0 1 N N N N N N 30.384 4.428  2.798  -2.263 -0.099 -1.350 HD2  LYN 18 
LYN HD3  HD2 H 0 1 N N N N N N 29.054 4.357  1.641  -2.267 -1.428 -0.166 HD3  LYN 19 
LYN HE2  HE1 H 0 1 N N N N N N 30.340 5.262  -0.085 -3.601 -0.035 1.393  HE2  LYN 20 
LYN HE3  HE2 H 0 1 N N N N N N 31.861 4.748  0.644  -3.597 1.294  0.208  HE3  LYN 21 
LYN HZ1  HZ1 H 0 1 N N N N N N 31.453 7.158  0.823  -4.714 -0.156 -1.322 HZ1  LYN 22 
LYN HZ2  HZ2 H 0 1 N N N N N N 31.624 6.403  2.336  -4.717 -1.386 -0.225 HZ2  LYN 23 
LYN HZ3  HZ3 H 0 1 N N N N N N 30.083 6.841  1.770  -5.585 -0.017 0.070  HZ3  LYN 24 
LYN HNT1 H1  H 0 0 N N N N N N 33.494 -1.145 2.001  2.539  -1.961 1.096  HNT1 LYN 25 
LYN HNT2 H2  H 0 0 N N N N N N 34.741 -0.751 3.082  3.881  -1.915 0.087  HNT2 LYN 26 
# 
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 
LYN N  CA   SING N N 1  
LYN N  H    SING N N 2  
LYN N  H2   SING N N 3  
LYN CA CB   SING N N 4  
LYN CA C    SING N N 5  
LYN CA HA   SING N N 6  
LYN CB CG   SING N N 7  
LYN CB HB2  SING N N 8  
LYN CB HB3  SING N N 9  
LYN CG CD   SING N N 10 
LYN CG HG2  SING N N 11 
LYN CG HG3  SING N N 12 
LYN CD CE   SING N N 13 
LYN CD HD2  SING N N 14 
LYN CD HD3  SING N N 15 
LYN CE NZ   SING N N 16 
LYN CE HE2  SING N N 17 
LYN CE HE3  SING N N 18 
LYN NZ HZ1  SING N N 19 
LYN NZ HZ2  SING N N 20 
LYN NZ HZ3  SING N N 21 
LYN C  O    DOUB N N 22 
LYN C  NT   SING N N 23 
LYN NT HNT1 SING N N 24 
LYN NT HNT2 SING N N 25 
# 
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 
LYN SMILES           ACDLabs              10.04 "O=C(N)C(N)CCCC[NH3+]"                                                          
LYN SMILES_CANONICAL CACTVS               3.341 "N[C@@H](CCCC[NH3+])C(N)=O"                                                     
LYN SMILES           CACTVS               3.341 "N[CH](CCCC[NH3+])C(N)=O"                                                       
LYN SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 "C(CC[NH3+])C[C@@H](C(=O)N)N"                                                   
LYN SMILES           "OpenEye OEToolkits" 1.5.0 "C(CC[NH3+])CC(C(=O)N)N"                                                        
LYN InChI            InChI                1.03  "InChI=1S/C6H15N3O/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H2,9,10)/p+1/t5-/m0/s1" 
LYN InChIKey         InChI                1.03  HKXLAGBDJVHRQG-YFKPBYRVSA-O                                                     
# 
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 
LYN "SYSTEMATIC NAME" ACDLabs              10.04 6-ammonio-L-norleucinamide              
LYN "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 "[(5S)-5,6-diamino-6-oxo-hexyl]azanium" 
# 
loop_
_pdbx_chem_comp_audit.comp_id 
_pdbx_chem_comp_audit.action_type 
_pdbx_chem_comp_audit.date 
_pdbx_chem_comp_audit.processing_site 
LYN "Create component"  2000-11-10 RCSB 
LYN "Modify descriptor" 2011-06-04 RCSB 
LYN "Modify PCM"        2024-09-27 PDBE 
# 
_pdbx_chem_comp_pcm.pcm_id                             1 
_pdbx_chem_comp_pcm.comp_id                            LYN 
_pdbx_chem_comp_pcm.modified_residue_id                DFF 
_pdbx_chem_comp_pcm.type                               None 
_pdbx_chem_comp_pcm.category                           "Covalent chemical modification" 
_pdbx_chem_comp_pcm.position                           "Amino-acid backbone" 
_pdbx_chem_comp_pcm.polypeptide_position               C-terminal 
_pdbx_chem_comp_pcm.comp_id_linking_atom               NZ 
_pdbx_chem_comp_pcm.modified_residue_id_linking_atom   C 
_pdbx_chem_comp_pcm.uniprot_specific_ptm_accession     ? 
_pdbx_chem_comp_pcm.uniprot_generic_ptm_accession      ? 
# 
