data_DCY
# 
_chem_comp.id                                    DCY 
_chem_comp.name                                  D-CYSTEINE 
_chem_comp.type                                  "D-PEPTIDE LINKING" 
_chem_comp.pdbx_type                             ATOMP 
_chem_comp.formula                               "C3 H7 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                    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                        121.158 
_chem_comp.one_letter_code                       C 
_chem_comp.three_letter_code                     DCY 
_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        1F57 
_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 
DCY N   N   N 0 1 N N N 10.380 -11.139 23.139 1.592  0.453  0.079  N   DCY 1  
DCY CA  CA  C 0 1 N N S 9.835  -9.750  23.203 0.145  0.444  -0.175 CA  DCY 2  
DCY C   C   C 0 1 N N N 9.754  -9.262  24.656 -0.113 -0.000 -1.591 C   DCY 3  
DCY O   O   O 0 1 N N N 9.179  -8.183  24.900 0.649  -0.765 -2.133 O   DCY 4  
DCY CB  CB  C 0 1 N N N 10.742 -8.821  22.398 -0.537 -0.521 0.795  CB  DCY 5  
DCY SG  SG  S 0 1 N N N 12.422 -8.587  23.046 -0.226 0.014  2.500  SG  DCY 6  
DCY OXT OXT O 0 1 N Y N 10.282 -9.969  25.533 -1.190 0.452  -2.251 OXT DCY 7  
DCY H   H   H 0 1 N N N 10.433 -11.463 22.173 2.010  1.018  -0.644 H   DCY 8  
DCY H2  HN2 H 0 1 N Y N 9.845  -11.781 23.723 1.917  -0.491 -0.065 H2  DCY 9  
DCY HA  HA  H 0 1 N N N 8.805  -9.745  22.774 -0.255 1.447  -0.030 HA  DCY 10 
DCY HB2 1HB H 0 1 N N N 10.790 -9.164  21.338 -1.610 -0.527 0.606  HB2 DCY 11 
DCY HB3 2HB H 0 1 N N N 10.246 -7.830  22.265 -0.137 -1.525 0.651  HB3 DCY 12 
DCY HG  HG  H 0 1 N N N 12.986 -8.009  22.545 -0.893 -0.942 3.171  HG  DCY 13 
DCY HXT HXT H 0 1 N Y N 10.231 -9.667  26.432 -1.356 0.166  -3.160 HXT DCY 14 
# 
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 
DCY N   CA  SING N N 1  
DCY N   H   SING N N 2  
DCY N   H2  SING N N 3  
DCY CA  C   SING N N 4  
DCY CA  CB  SING N N 5  
DCY CA  HA  SING N N 6  
DCY C   O   DOUB N N 7  
DCY C   OXT SING N N 8  
DCY CB  SG  SING N N 9  
DCY CB  HB2 SING N N 10 
DCY CB  HB3 SING N N 11 
DCY SG  HG  SING N N 12 
DCY OXT HXT SING N N 13 
# 
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 
DCY SMILES           ACDLabs              10.04 "O=C(O)C(N)CS"                                                        
DCY InChI            InChI                1.02b "InChI=1/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m1/s1/f/h5H" 
DCY InChIKey         InChI                1.02b XUJNEKJLAYXESH-FIXCMCSDDK                                             
DCY SMILES_CANONICAL CACTVS               3.341 "N[C@H](CS)C(O)=O"                                                    
DCY SMILES           CACTVS               3.341 "N[CH](CS)C(O)=O"                                                     
DCY SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 "C([C@H](C(=O)O)N)S"                                                  
DCY SMILES           "OpenEye OEToolkits" 1.5.0 "C(C(C(=O)O)N)S"                                                      
# 
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 
DCY "SYSTEMATIC NAME" ACDLabs              10.04 D-cysteine                               
DCY "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 "(2S)-2-amino-3-sulfanyl-propanoic acid" 
# 
