data_UZA
# 
_chem_comp.id                                    UZA 
_chem_comp.name                                  "(2S,6E)-2-amino-2-methylnon-6-enoic acid" 
_chem_comp.type                                  "L-peptide linking" 
_chem_comp.pdbx_type                             ATOMP 
_chem_comp.formula                               "C10 H19 N O2" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2020-06-08 
_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                        185.263 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     UZA 
_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        6PW8 
_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 
UZA N   N   N 0 1 N N N Y Y N -2.166 -12.784 -5.075  -1.708 -1.648 -0.140 N   UZA 1  
UZA CA  CA  C 0 1 N N S Y N N -1.597 -14.135 -5.120  -2.052 -0.282 0.276  CA  UZA 2  
UZA C   C   C 0 1 N N N Y N Y -0.102 -14.132 -4.847  -3.358 0.122  -0.357 C   UZA 3  
UZA O   O   O 0 1 N N N Y N Y 0.391  -15.040 -4.213  -3.535 1.267  -0.699 O   UZA 4  
UZA CB1 CB1 C 0 1 N N N N N N -2.352 -15.028 -4.127  -2.186 -0.232 1.799  CB1 UZA 5  
UZA C05 C05 C 0 1 N N N N N N -7.737 -15.240 -10.042 5.569  -1.275 -0.559 C05 UZA 6  
UZA C06 C06 C 0 1 N N N N N N -6.988 -16.225 -9.150  5.156  0.006  0.168  C06 UZA 7  
UZA C07 C07 C 0 1 N N N N N N -5.588 -15.687 -8.838  3.829  0.481  -0.365 C07 UZA 8  
UZA C08 C08 C 0 1 N N N N N N -4.590 -16.541 -8.545  2.828  0.685  0.456  C08 UZA 9  
UZA C09 C09 C 0 1 N N N N N N -3.210 -15.953 -8.236  1.501  1.160  -0.077 C09 UZA 10 
UZA C10 C10 C 0 1 N N N N N N -3.205 -15.231 -6.880  0.399  0.198  0.370  C10 UZA 11 
UZA C11 C11 C 0 1 N N N N N N -1.757 -14.704 -6.551  -0.949 0.680  -0.171 C11 UZA 12 
UZA OXT OXT O 0 1 N Y N Y N Y 0.600  -13.105 -5.332  -4.325 -0.790 -0.541 OXT UZA 13 
UZA H   H1  H 0 1 N N N Y Y N -2.066 -12.410 -4.153  -2.388 -2.312 0.199  H1  UZA 14 
UZA H2  H2  H 0 1 N Y N Y Y N -1.684 -12.198 -5.726  -1.613 -1.708 -1.143 H2  UZA 15 
UZA H4  H4  H 0 1 N N N N N N -2.239 -14.624 -3.110  -1.241 -0.524 2.257  H4  UZA 16 
UZA H5  H5  H 0 1 N N N N N N -3.419 -15.053 -4.394  -2.441 0.782  2.108  H5  UZA 17 
UZA H6  H6  H 0 1 N N N N N N -1.940 -16.047 -4.164  -2.971 -0.917 2.118  H6  UZA 18 
UZA H7  H7  H 0 1 N N N N N N -8.741 -15.633 -10.261 4.815  -2.045 -0.396 H7  UZA 19 
UZA H8  H8  H 0 1 N N N N N N -7.827 -14.273 -9.525  5.657  -1.074 -1.627 H8  UZA 20 
UZA H9  H9  H 0 1 N Y N N N N -7.183 -15.103 -10.983 6.529  -1.618 -0.174 H9  UZA 21 
UZA H10 H10 H 0 1 N N N N N N -7.544 -16.361 -8.211  5.068  -0.195 1.236  H10 UZA 22 
UZA H11 H11 H 0 1 N N N N N N -6.900 -17.192 -9.668  5.910  0.776  0.004  H11 UZA 23 
UZA H12 H12 H 0 1 N N N N N N -5.402 -14.623 -8.853  3.702  0.652  -1.423 H12 UZA 24 
UZA H13 H13 H 0 1 N N N N N N -4.757 -17.608 -8.528  2.955  0.514  1.515  H13 UZA 25 
UZA H14 H14 H 0 1 N N N N N N -2.470 -16.767 -8.212  1.291  2.158  0.308  H14 UZA 26 
UZA H15 H15 H 0 1 N N N N N N -2.941 -15.236 -9.025  1.537  1.191  -1.166 H15 UZA 27 
UZA H16 H16 H 0 1 N N N N N N -3.901 -14.380 -6.918  0.609  -0.800 -0.015 H16 UZA 28 
UZA H17 H17 H 0 1 N N N N N N -3.524 -15.931 -6.094  0.363  0.167  1.459  H17 UZA 29 
UZA H18 H18 H 0 1 N N N N N N -1.051 -15.539 -6.671  -0.913 0.711  -1.260 H18 UZA 30 
UZA H19 H19 H 0 1 N N N N N N -1.509 -13.908 -7.268  -1.159 1.678  0.214  H19 UZA 31 
UZA HXT H20 H 0 1 N Y N Y N Y 1.516  -13.209 -5.101  -5.146 -0.483 -0.951 H20 UZA 32 
# 
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 
UZA C05 C06 SING N N 1  
UZA C06 C07 SING N N 2  
UZA C07 C08 DOUB N E 3  
UZA C08 C09 SING N N 4  
UZA C09 C10 SING N N 5  
UZA C10 C11 SING N N 6  
UZA C11 CA  SING N N 7  
UZA CA  N   SING N N 8  
UZA CA  C   SING N N 9  
UZA CA  CB1 SING N N 10 
UZA C   O   DOUB N N 11 
UZA C   OXT SING N N 12 
UZA N   H   SING N N 13 
UZA N   H2  SING N N 14 
UZA CB1 H4  SING N N 15 
UZA CB1 H5  SING N N 16 
UZA CB1 H6  SING N N 17 
UZA C05 H7  SING N N 18 
UZA C05 H8  SING N N 19 
UZA C05 H9  SING N N 20 
UZA C06 H10 SING N N 21 
UZA C06 H11 SING N N 22 
UZA C07 H12 SING N N 23 
UZA C08 H13 SING N N 24 
UZA C09 H14 SING N N 25 
UZA C09 H15 SING N N 26 
UZA C10 H16 SING N N 27 
UZA C10 H17 SING N N 28 
UZA C11 H18 SING N N 29 
UZA C11 H19 SING N N 30 
UZA OXT HXT SING N N 31 
# 
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 
UZA SMILES           ACDLabs              12.01 "NC(C(=O)O)(C)CCC\C=C\CC"                                                                             
UZA InChI            InChI                1.03  "InChI=1S/C10H19NO2/c1-3-4-5-6-7-8-10(2,11)9(12)13/h4-5H,3,6-8,11H2,1-2H3,(H,12,13)/b5-4+/t10-/m0/s1" 
UZA InChIKey         InChI                1.03  FTUDBYYFEJZDPE-YEZKRMTDSA-N                                                                           
UZA SMILES_CANONICAL CACTVS               3.385 "CC\C=C\CCC[C@](C)(N)C(O)=O"                                                                          
UZA SMILES           CACTVS               3.385 "CCC=CCCC[C](C)(N)C(O)=O"                                                                             
UZA SMILES_CANONICAL "OpenEye OEToolkits" 2.0.7 "CC/C=C/CCC[C@@](C)(C(=O)O)N"                                                                         
UZA SMILES           "OpenEye OEToolkits" 2.0.7 "CCC=CCCCC(C)(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 
UZA "SYSTEMATIC NAME" ACDLabs              12.01 "(2S,6E)-2-amino-2-methylnon-6-enoic acid"        
UZA "SYSTEMATIC NAME" "OpenEye OEToolkits" 2.0.7 "(~{E},2~{S})-2-azanyl-2-methyl-non-6-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 
UZA "Create component" 2020-06-08 RCSB 
UZA "Initial release"  2020-07-22 RCSB 
UZA "Modify backbone"  2023-11-03 PDBE 
UZA "Modify PCM"       2024-09-27 PDBE 
# 
_pdbx_chem_comp_pcm.pcm_id                             1 
_pdbx_chem_comp_pcm.comp_id                            UZA 
_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               "Any position" 
_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      ? 
# 
