data_MET
# 
_chem_comp.id                                    MET 
_chem_comp.name                                  METHIONINE 
_chem_comp.type                                  "L-PEPTIDE LINKING" 
_chem_comp.pdbx_type                             ATOMP 
_chem_comp.formula                               "C5 H11 N O2 S" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     1999-07-08 
_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                        149.211 
_chem_comp.one_letter_code                       M 
_chem_comp.three_letter_code                     MET 
_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        ? 
_chem_comp.pdbx_subcomponent_list                ? 
_chem_comp.pdbx_processing_site                  EBI 
# 
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 
MET N   N   N 0 1 N N N Y Y N 16.161 15.756 51.903 -1.816 0.142  -1.166 N   MET 1  
MET CA  CA  C 0 1 N N S Y N N 15.084 16.739 51.596 -0.392 0.499  -1.214 CA  MET 2  
MET C   C   C 0 1 N N N Y N Y 13.846 15.930 51.367 0.206  0.002  -2.504 C   MET 3  
MET O   O   O 0 1 N N N Y N Y 12.795 16.510 51.424 -0.236 -0.989 -3.033 O   MET 4  
MET CB  CB  C 0 1 N N N N N N 15.401 17.530 50.317 0.334  -0.145 -0.032 CB  MET 5  
MET CG  CG  C 0 1 N N N N N N 16.183 18.846 50.502 -0.273 0.359  1.277  CG  MET 6  
MET SD  SD  S 0 1 N N N N N N 17.852 18.653 51.063 0.589  -0.405 2.678  SD  MET 7  
MET CE  CE  C 0 1 N N N N N N 18.614 17.814 49.556 -0.314 0.353  4.056  CE  MET 8  
MET OXT OXT O 0 1 N Y N Y N Y 13.865 14.721 51.154 1.232  0.661  -3.066 OXT MET 9  
MET H   H   H 0 1 N N N Y Y N 17.004 16.307 52.059 -1.865 -0.864 -1.220 H   MET 10 
MET H2  HN2 H 0 1 N Y N Y Y N 16.270 15.035 51.189 -2.149 0.399  -0.248 H2  MET 11 
MET HA  HA  H 0 1 N N N Y N N 14.975 17.472 52.429 -0.287 1.582  -1.158 HA  MET 12 
MET HB2 1HB H 0 1 N N N N N N 15.935 16.873 49.591 1.391  0.119  -0.068 HB2 MET 13 
MET HB3 2HB H 0 1 N N N N N N 14.459 17.728 49.754 0.229  -1.229 -0.088 HB3 MET 14 
MET HG2 1HG H 0 1 N N N N N N 16.160 19.442 49.560 -1.330 0.094  1.313  HG2 MET 15 
MET HG3 2HG H 0 1 N N N N N N 15.625 19.532 51.181 -0.168 1.442  1.333  HG3 MET 16 
MET HE1 1HE H 0 1 N N N N N N 19.664 17.692 49.909 0.090  -0.010 5.000  HE1 MET 17 
MET HE2 2HE H 0 1 N N N N N N 18.107 16.882 49.211 -0.207 1.436  4.008  HE2 MET 18 
MET HE3 3HE H 0 1 N N N N N N 18.487 18.349 48.586 -1.369 0.088  3.988  HE3 MET 19 
MET HXT HXT H 0 1 N Y N Y N Y 13.079 14.207 51.008 1.616  0.342  -3.894 HXT MET 20 
# 
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 
MET N   CA  SING N N 1  
MET N   H   SING N N 2  
MET N   H2  SING N N 3  
MET CA  C   SING N N 4  
MET CA  CB  SING N N 5  
MET CA  HA  SING N N 6  
MET C   O   DOUB N N 7  
MET C   OXT SING N N 8  
MET CB  CG  SING N N 9  
MET CB  HB2 SING N N 10 
MET CB  HB3 SING N N 11 
MET CG  SD  SING N N 12 
MET CG  HG2 SING N N 13 
MET CG  HG3 SING N N 14 
MET SD  CE  SING N N 15 
MET CE  HE1 SING N N 16 
MET CE  HE2 SING N N 17 
MET CE  HE3 SING N N 18 
MET OXT HXT SING N N 19 
# 
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 
MET SMILES           ACDLabs              10.04 "O=C(O)C(N)CCSC"                                                          
MET SMILES_CANONICAL CACTVS               3.341 "CSCC[C@H](N)C(O)=O"                                                      
MET SMILES           CACTVS               3.341 "CSCC[CH](N)C(O)=O"                                                       
MET SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 "CSCC[C@@H](C(=O)O)N"                                                     
MET SMILES           "OpenEye OEToolkits" 1.5.0 "CSCCC(C(=O)O)N"                                                          
MET InChI            InChI                1.03  "InChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1" 
MET InChIKey         InChI                1.03  FFEARJCKVFRZRR-BYPYZUCNSA-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 
MET "SYSTEMATIC NAME" ACDLabs              10.04 L-methionine                                  
MET "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 "(2S)-2-amino-4-methylsulfanyl-butanoic 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 
MET "Create component"  1999-07-08 EBI  
MET "Modify descriptor" 2011-06-04 RCSB 
MET "Modify backbone"   2023-11-03 PDBE 
# 
