data_DTY
# 
_chem_comp.id                                    DTY 
_chem_comp.name                                  D-TYROSINE 
_chem_comp.type                                  "D-PEPTIDE LINKING" 
_chem_comp.pdbx_type                             ATOMP 
_chem_comp.formula                               "C9 H11 N O3" 
_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                    2009-01-07 
_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                        181.189 
_chem_comp.one_letter_code                       Y 
_chem_comp.three_letter_code                     DTY 
_chem_comp.pdbx_model_coordinates_details        ? 
_chem_comp.pdbx_model_coordinates_missing_flag   Y 
_chem_comp.pdbx_ideal_coordinates_details        ? 
_chem_comp.pdbx_ideal_coordinates_missing_flag   N 
_chem_comp.pdbx_model_coordinates_db_code        1UNO 
_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 
DTY N   N   N 0 1 N N N 15.002 26.572 23.059 -0.296 -1.610 1.590  N   DTY 1  
DTY CA  CA  C 0 1 N N R 15.181 28.008 23.305 0.975  -1.255 1.008  CA  DTY 2  
DTY C   C   C 0 1 N N N 14.189 28.380 24.410 1.898  -2.463 0.937  C   DTY 3  
DTY O   O   O 0 1 N N N 14.474 28.388 25.601 1.493  -3.601 0.722  O   DTY 4  
DTY CB  CB  C 0 1 N N N 16.589 28.351 23.732 0.799  -0.646 -0.389 CB  DTY 5  
DTY CG  CG  C 0 1 Y N N 16.799 29.859 23.675 1.976  0.199  -0.815 CG  DTY 6  
DTY CD1 CD1 C 0 1 Y N N 16.896 30.486 22.435 1.983  1.552  -0.517 CD1 DTY 7  
DTY CD2 CD2 C 0 1 Y N N 16.885 30.615 24.838 3.026  -0.394 -1.496 CD2 DTY 8  
DTY CE1 CE1 C 0 1 Y N N 17.090 31.846 22.315 3.070  2.333  -0.911 CE1 DTY 9  
DTY CE2 CE2 C 0 1 Y N N 17.074 31.987 24.703 4.113  0.387  -1.891 CE2 DTY 10 
DTY CZ  CZ  C 0 1 Y N N 17.181 32.596 23.478 4.135  1.750  -1.598 CZ  DTY 11 
DTY OH  OH  O 0 1 N N N 17.368 33.952 23.346 5.194  2.513  -1.984 OH  DTY 12 
DTY OXT OXT O 0 1 N Y N ?      ?      ?      3.211  -2.187 1.120  OXT DTY 13 
DTY H   H   H 0 1 N N N 15.663 26.324 22.322 -1.096 -1.030 1.404  H   DTY 14 
DTY H2  HN2 H 0 1 N Y N 14.039 26.314 22.842 -0.321 -2.297 2.324  H2  DTY 15 
DTY HA  HA  H 0 1 N N N 14.999 28.579 22.364 1.437  -0.541 1.700  HA  DTY 16 
DTY HB2 1HB H 0 1 N N N 16.834 27.932 24.736 0.660  -1.437 -1.137 HB2 DTY 17 
DTY HB3 2HB H 0 1 N N N 17.352 27.800 23.134 -0.121 -0.047 -0.427 HB3 DTY 18 
DTY HD1 HD1 H 0 1 N N N 16.816 29.883 21.514 1.158  2.015  0.018  HD1 DTY 19 
DTY HD2 HD2 H 0 1 N N N 16.806 30.143 25.831 3.018  -1.456 -1.729 HD2 DTY 20 
DTY HE1 HE1 H 0 1 N N N 17.169 32.318 21.321 3.080  3.395  -0.680 HE1 DTY 21 
DTY HE2 HE2 H 0 1 N N N 17.141 32.618 25.604 4.939  -0.073 -2.426 HE2 DTY 22 
DTY HH  HH  H 0 1 N N N 17.430 34.465 24.142 5.722  2.770  -1.211 HH  DTY 23 
DTY HXT HXT H 0 1 N Y N -0.615 0.230  0.685  3.807  -2.964 1.068  HXT DTY 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 
DTY N   CA  SING N N 1  
DTY N   H   SING N N 2  
DTY N   H2  SING N N 3  
DTY CA  C   SING N N 4  
DTY CA  CB  SING N N 5  
DTY CA  HA  SING N N 6  
DTY C   O   DOUB N N 7  
DTY C   OXT SING N N 8  
DTY CB  CG  SING N N 9  
DTY CB  HB2 SING N N 10 
DTY CB  HB3 SING N N 11 
DTY CG  CD1 DOUB Y N 12 
DTY CG  CD2 SING Y N 13 
DTY CD1 CE1 SING Y N 14 
DTY CD1 HD1 SING N N 15 
DTY CD2 CE2 DOUB Y N 16 
DTY CD2 HD2 SING N N 17 
DTY CE1 CZ  DOUB Y N 18 
DTY CE1 HE1 SING N N 19 
DTY CE2 CZ  SING Y N 20 
DTY CE2 HE2 SING N N 21 
DTY CZ  OH  SING N N 22 
DTY OH  HH  SING N N 23 
DTY OXT HXT SING N N 24 
# 
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 
DTY SMILES           ACDLabs              10.04 "O=C(O)C(N)Cc1ccc(O)cc1"                                                                         
DTY InChI            InChI                1.02b "InChI=1/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m1/s1/f/h12H" 
DTY InChIKey         InChI                1.02b OUYCCCASQSFEME-SQFIXDETDH                                                                        
DTY SMILES_CANONICAL CACTVS               3.341 "N[C@H](Cc1ccc(O)cc1)C(O)=O"                                                                     
DTY SMILES           CACTVS               3.341 "N[CH](Cc1ccc(O)cc1)C(O)=O"                                                                      
DTY SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 "c1cc(ccc1C[C@H](C(=O)O)N)O"                                                                     
DTY SMILES           "OpenEye OEToolkits" 1.5.0 "c1cc(ccc1CC(C(=O)O)N)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 
DTY "SYSTEMATIC NAME" ACDLabs              10.04 D-tyrosine                                       
DTY "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 "(2R)-2-amino-3-(4-hydroxyphenyl)propanoic acid" 
# 
