data_DYL
# 
_chem_comp.id                                    DYL 
_chem_comp.name                                  "(2R)-2-aminopent-4-enoic acid" 
_chem_comp.type                                  "D-PEPTIDE LINKING" 
_chem_comp.pdbx_type                             ATOMP 
_chem_comp.formula                               "C5 H9 N O2" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2013-12-20 
_chem_comp.pdbx_modified_date                    2023-11-03 
_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                        115.130 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     DYL 
_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        4NR1 
_chem_comp.pdbx_subcomponent_list                ? 
_chem_comp.pdbx_processing_site                  RCSB 
# 
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 
DYL N   N   N 0 1 N N N Y Y N -26.313 25.803 -3.969 -0.119 1.753  0.400  N   DYL 1  
DYL CA  CA  C 0 1 N N R Y N N -26.038 24.485 -3.391 -0.119 0.284  0.422  CA  DYL 2  
DYL C   C   C 0 1 N N N Y N Y -26.299 24.396 -1.882 -1.485 -0.223 0.038  C   DYL 3  
DYL O   O   O 0 1 N N N Y N Y -27.112 25.152 -1.331 -2.249 0.494  -0.564 O   DYL 4  
DYL CB  CB  C 0 1 N N N N N N -26.790 23.382 -4.151 0.918  -0.241 -0.573 CB  DYL 5  
DYL CG  CG  C 0 1 N N N N N N -25.782 22.455 -4.736 2.298  0.164  -0.121 CG  DYL 6  
DYL CD  CD  C 0 1 N N N N N N -25.712 21.197 -4.333 3.225  -0.745 0.047  CD  DYL 7  
DYL OXT O1  O 0 1 N Y N Y N Y -25.578 23.464 -1.250 -1.853 -1.472 0.364  O1  DYL 8  
DYL H   H1  H 0 1 N N N Y Y N -25.813 26.502 -3.458 0.767  2.119  0.716  H1  DYL 9  
DYL H2  H2  H 0 1 N Y N Y Y N -26.020 25.815 -4.925 -0.347 2.101  -0.519 H2  DYL 10 
DYL HA  H4  H 0 1 N N N Y N N -24.966 24.284 -3.533 0.130  -0.064 1.424  H4  DYL 11 
DYL H5  H5  H 0 1 N N N N N N -27.396 23.828 -4.953 0.857  -1.328 -0.622 H5  DYL 12 
DYL H6  H6  H 0 1 N N N N N N -27.445 22.832 -3.459 0.721  0.180  -1.559 H6  DYL 13 
DYL H7  H7  H 0 1 N N N N N N -25.103 22.813 -5.495 2.521  1.204  0.065  H7  DYL 14 
DYL H8  H8  H 0 1 N N N N N N -24.978 20.532 -4.763 3.001  -1.785 -0.139 H8  DYL 15 
DYL H9  H9  H 0 1 N N N N N N -26.389 20.835 -3.574 4.214  -0.455 0.371  H9  DYL 16 
DYL HXT H10 H 0 1 N Y N Y N Y -25.787 23.475 -0.323 -2.739 -1.753 0.097  H10 DYL 17 
# 
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 
DYL CG  CD  DOUB N N 1  
DYL CG  CB  SING N N 2  
DYL CB  CA  SING N N 3  
DYL N   CA  SING N N 4  
DYL CA  C   SING N N 5  
DYL C   O   DOUB N N 6  
DYL C   OXT SING N N 7  
DYL N   H   SING N N 8  
DYL N   H2  SING N N 9  
DYL CA  HA  SING N N 10 
DYL CB  H5  SING N N 11 
DYL CB  H6  SING N N 12 
DYL CG  H7  SING N N 13 
DYL CD  H8  SING N N 14 
DYL CD  H9  SING N N 15 
DYL OXT HXT SING N N 16 
# 
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 
DYL SMILES           ACDLabs              12.01 "O=C(O)C(N)C/C=C"                                                   
DYL InChI            InChI                1.03  "InChI=1S/C5H9NO2/c1-2-3-4(6)5(7)8/h2,4H,1,3,6H2,(H,7,8)/t4-/m1/s1" 
DYL InChIKey         InChI                1.03  WNNNWFKQCKFSDK-SCSAIBSYSA-N                                         
DYL SMILES_CANONICAL CACTVS               3.385 "N[C@H](CC=C)C(O)=O"                                                
DYL SMILES           CACTVS               3.385 "N[CH](CC=C)C(O)=O"                                                 
DYL SMILES_CANONICAL "OpenEye OEToolkits" 1.7.6 "C=CC[C@H](C(=O)O)N"                                                
DYL SMILES           "OpenEye OEToolkits" 1.7.6 "C=CCC(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 
DYL "SYSTEMATIC NAME" ACDLabs              12.01 "(2R)-2-aminopent-4-enoic acid"  
DYL "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.7.6 "(2R)-2-azanylpent-4-enoic 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 
DYL "Create component" 2013-12-20 RCSB 
DYL "Initial release"  2015-01-21 RCSB 
DYL "Modify backbone"  2023-11-03 PDBE 
# 
