data_NOT # _chem_comp.id NOT _chem_comp.name 6-azido-L-norleucine _chem_comp.type "L-PEPTIDE LINKING" _chem_comp.pdbx_type ATOMP _chem_comp.formula "C6 H12 N4 O2" _chem_comp.mon_nstd_parent_comp_id LEU _chem_comp.pdbx_synonyms AZIDONORLEUCINE _chem_comp.pdbx_formal_charge 0 _chem_comp.pdbx_initial_date 2009-05-08 _chem_comp.pdbx_modified_date 2021-03-01 _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 172.185 _chem_comp.one_letter_code ? _chem_comp.three_letter_code NOT _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 3H9B _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.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 NOT N N N 0 1 N N N 14.637 0.131 19.246 2.469 1.720 0.414 N1 NOT 1 NOT CA CA C 0 1 N N S 14.264 1.535 19.517 2.283 0.267 0.525 C1 NOT 2 NOT C C C 0 1 N N N 15.199 2.210 20.530 3.500 -0.438 -0.018 C2 NOT 3 NOT O O O 0 1 N N N 15.851 1.500 21.300 3.748 -1.711 0.328 O1 NOT 4 NOT CB CB C 0 1 N N N 12.798 1.569 19.988 1.050 -0.153 -0.277 C3 NOT 5 NOT CG CG C 0 1 N N N 11.772 1.203 18.906 -0.201 0.464 0.351 C4 NOT 6 NOT C1 C1 C 0 1 N N N 10.363 1.655 19.282 -1.435 0.045 -0.451 C5 NOT 7 NOT C2 C2 C 0 1 N N N 9.256 1.098 18.374 -2.686 0.662 0.177 C6 NOT 8 NOT OXT OXT O 0 1 N N N 15.282 3.439 20.555 4.251 0.143 -0.765 O2 NOT 9 NOT N1 N1 N 0 1 N N N 7.955 1.663 18.754 -3.867 0.261 -0.592 N2 NOT 10 NOT N2 N2 N 1 1 N N N 7.608 1.907 19.902 -4.692 -0.317 -0.093 N3 NOT 11 NOT N3 N3 N -1 1 N N N 7.287 2.138 20.971 -5.517 -0.896 0.405 N4 NOT 12 NOT HN HN H 0 1 N N N 14.721 -0.007 18.259 2.600 1.995 -0.547 H1 NOT 13 NOT HNA HNA H 0 1 N N N 15.511 -0.073 19.687 1.695 2.216 0.831 H2 NOT 14 NOT HA HA H 0 1 N N N 14.371 2.115 18.588 2.144 -0.003 1.572 H3 NOT 15 NOT HO HO H 0 1 N N N 16.382 2.049 21.865 4.540 -2.121 -0.045 H4 NOT 16 NOT HB HB H 0 1 N N N 12.692 0.846 20.811 1.150 0.196 -1.305 H5 NOT 17 NOT HBA HBA H 0 1 N N N 12.586 2.607 20.285 0.963 -1.239 -0.268 H6 NOT 18 NOT HG HG H 0 1 N N N 12.061 1.695 17.966 -0.301 0.116 1.379 H7 NOT 19 NOT HGA HGA H 0 1 N N N 11.763 0.108 18.799 -0.114 1.551 0.342 H8 NOT 20 NOT H1 H1 H 0 1 N N N 10.162 1.314 20.308 -1.335 0.393 -1.480 H9 NOT 21 NOT H1A H1A H 0 1 N N N 10.341 2.749 19.174 -1.522 -1.041 -0.443 H10 NOT 22 NOT H2 H2 H 0 1 N N N 9.476 1.365 17.330 -2.786 0.314 1.205 H11 NOT 23 NOT H2A H2A H 0 1 N N N 9.218 0.004 18.484 -2.599 1.749 0.168 H12 NOT 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 NOT N CA SING N N 1 NOT N HN SING N N 2 NOT N HNA SING N N 3 NOT CA CB SING N N 4 NOT CA C SING N N 5 NOT CA HA SING N N 6 NOT C OXT DOUB N N 7 NOT C O SING N N 8 NOT O HO SING N N 9 NOT CB HB SING N N 10 NOT CB HBA SING N N 11 NOT CG CB SING N N 12 NOT CG C1 SING N N 13 NOT CG HG SING N N 14 NOT CG HGA SING N N 15 NOT C1 H1 SING N N 16 NOT C1 H1A SING N N 17 NOT C2 C1 SING N N 18 NOT C2 N1 SING N N 19 NOT C2 H2 SING N N 20 NOT C2 H2A SING N N 21 NOT N1 N2 DOUB N N 22 NOT N2 N3 DOUB 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 NOT SMILES ACDLabs 10.04 "[N-]=[N+]=N/CCCCC(N)C(=O)O" NOT SMILES_CANONICAL CACTVS 3.341 "N[C@@H](CCCCN=[N+]=[N-])C(O)=O" NOT SMILES CACTVS 3.341 "N[CH](CCCCN=[N+]=[N-])C(O)=O" NOT SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 "C(CCN=[N+]=[N-])C[C@@H](C(=O)O)N" NOT SMILES "OpenEye OEToolkits" 1.5.0 "C(CCN=[N+]=[N-])CC(C(=O)O)N" NOT InChI InChI 1.03 "InChI=1S/C6H12N4O2/c7-5(6(11)12)3-1-2-4-9-10-8/h5H,1-4,7H2,(H,11,12)/t5-/m0/s1" NOT InChIKey InChI 1.03 HTFFMYRVHHNNBE-YFKPBYRVSA-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 NOT "SYSTEMATIC NAME" ACDLabs 10.04 6-azido-L-norleucine NOT "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 "(2S)-2-amino-6-azido-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 NOT "Create component" 2009-05-08 RCSB NOT "Modify descriptor" 2011-06-04 RCSB NOT "Modify synonyms" 2021-03-01 PDBE # _pdbx_chem_comp_synonyms.ordinal 1 _pdbx_chem_comp_synonyms.comp_id NOT _pdbx_chem_comp_synonyms.name AZIDONORLEUCINE _pdbx_chem_comp_synonyms.provenance ? _pdbx_chem_comp_synonyms.type ? ##