data_GHP
# 
_chem_comp.id                                    GHP 
_chem_comp.name                                  4-HYDROXYPHENYLGLYCINE 
_chem_comp.type                                  "L-PEPTIDE LINKING" 
_chem_comp.pdbx_type                             ATOMP 
_chem_comp.formula                               "C8 H9 N O3" 
_chem_comp.mon_nstd_parent_comp_id               GLY 
_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                         NTY 
_chem_comp.formula_weight                        167.162 
_chem_comp.one_letter_code                       G 
_chem_comp.three_letter_code                     GHP 
_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        1DSR 
_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 
GHP N   N   N 0 1 N N N 14.387 21.776 20.379 0.815  1.723  -1.869 N   GHP 1  
GHP CA  CA  C 0 1 N N R 15.224 21.074 19.361 -0.265 0.800  -1.497 CA  GHP 2  
GHP C   C   C 0 1 N N N 14.558 19.703 19.047 -0.158 -0.456 -2.321 C   GHP 3  
GHP O   O   O 0 1 N N N 13.521 19.614 18.385 0.922  -0.837 -2.704 O   GHP 4  
GHP OXT OXT O 0 1 N Y N 15.173 18.632 19.565 -1.263 -1.153 -2.629 OXT GHP 5  
GHP C1  C1  C 0 1 Y N N 15.577 21.865 18.064 -0.149 0.454  -0.035 C1  GHP 6  
GHP C2  C2  C 0 1 Y N N 16.826 21.658 17.461 -1.187 0.753  0.828  C2  GHP 7  
GHP C3  C3  C 0 1 Y N N 17.252 22.470 16.413 -1.083 0.437  2.169  C3  GHP 8  
GHP C4  C4  C 0 1 Y N N 16.421 23.478 15.938 0.062  -0.180 2.648  C4  GHP 9  
GHP O4  O4  O 0 1 N N N 16.862 24.343 14.976 0.166  -0.492 3.967  O4  GHP 10 
GHP C5  C5  C 0 1 Y N N 15.152 23.654 16.478 1.101  -0.478 1.779  C5  GHP 11 
GHP C6  C6  C 0 1 Y N N 14.728 22.848 17.530 0.991  -0.165 0.438  C6  GHP 12 
GHP H   1HN H 0 1 N N N 13.372 21.863 20.276 0.762  1.844  -2.869 H   GHP 13 
GHP H2  2HN H 0 1 N Y N 14.230 21.213 21.215 1.683  1.243  -1.681 H2  GHP 14 
GHP HA  HA  H 0 1 N N N 16.202 20.860 19.847 -1.228 1.276  -1.683 HA  GHP 15 
GHP HXT HXT H 0 1 N Y N 14.766 17.795 19.373 -1.194 -1.959 -3.158 HXT GHP 16 
GHP HC2 H2  H 0 1 N N N 17.491 20.886 17.824 -2.079 1.233  0.454  HC2 GHP 17 
GHP H3  H3  H 0 1 N N N 18.233 22.328 15.983 -1.894 0.671  2.843  H3  GHP 18 
GHP HO4 HO4 H 0 1 N N N 16.165 24.980 14.797 -0.189 -1.385 4.072  HO4 GHP 19 
GHP H5  H5  H 0 1 N N N 14.503 24.433 16.110 1.995  -0.959 2.150  H5  GHP 20 
GHP H6  H6  H 0 1 N N N 13.754 23.026 17.962 1.799  -0.398 -0.238 H6  GHP 21 
# 
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 
GHP N   CA  SING N N 1  
GHP N   H   SING N N 2  
GHP N   H2  SING N N 3  
GHP CA  C   SING N N 4  
GHP CA  C1  SING N N 5  
GHP CA  HA  SING N N 6  
GHP C   O   DOUB N N 7  
GHP C   OXT SING N N 8  
GHP OXT HXT SING N N 9  
GHP C1  C2  DOUB Y N 10 
GHP C1  C6  SING Y N 11 
GHP C2  C3  SING Y N 12 
GHP C2  HC2 SING N N 13 
GHP C3  C4  DOUB Y N 14 
GHP C3  H3  SING N N 15 
GHP C4  O4  SING N N 16 
GHP C4  C5  SING Y N 17 
GHP O4  HO4 SING N N 18 
GHP C5  C6  DOUB Y N 19 
GHP C5  H5  SING N N 20 
GHP C6  H6  SING N N 21 
# 
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 
GHP SMILES           ACDLabs              10.04 "O=C(O)C(N)c1ccc(O)cc1"                                                                   
GHP InChI            InChI                1.02b "InChI=1/C8H9NO3/c9-7(8(11)12)5-1-3-6(10)4-2-5/h1-4,7,10H,9H2,(H,11,12)/t7-/m1/s1/f/h11H" 
GHP InChIKey         InChI                1.02b LJCWONGJFPCTTL-OVWMGBBEDO                                                                 
GHP SMILES_CANONICAL CACTVS               3.341 "N[C@@H](C(O)=O)c1ccc(O)cc1"                                                              
GHP SMILES           CACTVS               3.341 "N[CH](C(O)=O)c1ccc(O)cc1"                                                                
GHP SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 "c1cc(ccc1[C@H](C(=O)O)N)O"                                                               
GHP SMILES           "OpenEye OEToolkits" 1.5.0 "c1cc(ccc1C(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 
GHP "SYSTEMATIC NAME" ACDLabs              10.04 "(2R)-amino(4-hydroxyphenyl)ethanoic acid"      
GHP "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 "(2R)-2-amino-2-(4-hydroxyphenyl)ethanoic acid" 
# 
