data_DPR
# 
_chem_comp.id                                    DPR 
_chem_comp.name                                  D-PROLINE 
_chem_comp.type                                  "D-PEPTIDE LINKING" 
_chem_comp.pdbx_type                             ATOMP 
_chem_comp.formula                               "C5 H9 N O2" 
_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                        115.130 
_chem_comp.one_letter_code                       P 
_chem_comp.three_letter_code                     DPR 
_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        ? 
_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.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 
DPR N   N   N 0 1 N N N -4.206 7.451  -17.843 2.255 1.363  -1.572 N   DPR 1  
DPR CA  CA  C 0 1 N N R -3.893 8.671  -18.566 1.844 1.279  -0.170 CA  DPR 2  
DPR CB  CB  C 0 1 N N N -5.242 9.255  -18.952 3.127 1.304  0.654  CB  DPR 3  
DPR CG  CG  C 0 1 N N N -6.239 8.113  -18.840 4.244 1.368  -0.376 CG  DPR 4  
DPR CD  CD  C 0 1 N N N -5.571 6.986  -18.070 3.571 1.993  -1.580 CD  DPR 5  
DPR C   C   C 0 1 N N N -2.999 8.379  -19.774 1.099 -0.005 -0.020 C   DPR 6  
DPR O   O   O 0 1 N N N -3.431 7.734  -20.727 0.884 -0.801 -0.922 O   DPR 7  
DPR OXT OXT O 0 1 N Y N ?      ?      ?       0.686 -0.172 1.260  OXT DPR 8  
DPR H   HT1 H 0 1 N N N -3.576 6.736  -18.147 1.586 1.904  -2.118 H   DPR 9  
DPR HA  HA  H 0 1 N N N -3.318 9.388  -17.962 1.181 2.105  0.107  HA  DPR 10 
DPR HB2 1HB H 0 1 N N N -5.517 10.078 -18.276 3.248 0.441  1.317  HB2 DPR 11 
DPR HB3 2HB H 0 1 N N N -5.223 9.673  -19.969 3.151 2.210  1.271  HB3 DPR 12 
DPR HG2 1HG H 0 1 N N N -7.140 8.451  -18.307 5.100 1.950  -0.023 HG2 DPR 13 
DPR HG3 2HG H 0 1 N N N -6.540 7.768  -19.840 4.592 0.355  -0.614 HG3 DPR 14 
DPR HD2 1HD H 0 1 N N N -5.580 6.051  -18.650 3.480 3.078  -1.458 HD2 DPR 15 
DPR HD3 2HD H 0 1 N N N -6.094 6.761  -17.129 4.112 1.787  -2.508 HD3 DPR 16 
DPR HXT HXT H 0 1 N Y N 0.555  -0.181 -0.750  0.191 -1.010 1.379  HXT DPR 17 
# 
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 
DPR N   CA  SING N N 1  
DPR N   CD  SING N N 2  
DPR N   H   SING N N 3  
DPR CA  CB  SING N N 4  
DPR CA  C   SING N N 5  
DPR CA  HA  SING N N 6  
DPR CB  CG  SING N N 7  
DPR CB  HB2 SING N N 8  
DPR CB  HB3 SING N N 9  
DPR CG  CD  SING N N 10 
DPR CG  HG2 SING N N 11 
DPR CG  HG3 SING N N 12 
DPR CD  HD2 SING N N 13 
DPR CD  HD3 SING N N 14 
DPR C   O   DOUB N N 15 
DPR C   OXT SING N N 16 
DPR OXT HXT SING N N 17 
# 
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 
DPR SMILES           ACDLabs              10.04 "O=C(O)C1NCCC1"                                                          
DPR InChI            InChI                1.02b "InChI=1/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m1/s1/f/h7H" 
DPR InChIKey         InChI                1.02b ONIBWKKTOPOVIA-HWFVJUDGDM                                                
DPR SMILES_CANONICAL CACTVS               3.341 "OC(=O)[C@H]1CCCN1"                                                      
DPR SMILES           CACTVS               3.341 "OC(=O)[CH]1CCCN1"                                                       
DPR SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 "C1C[C@@H](NC1)C(=O)O"                                                   
DPR SMILES           "OpenEye OEToolkits" 1.5.0 "C1CC(NC1)C(=O)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 
DPR "SYSTEMATIC NAME" ACDLabs              10.04 D-proline                            
DPR "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 "(2R)-pyrrolidine-2-carboxylic acid" 
# 
