data_SVW
# 
_chem_comp.id                                    SVW 
_chem_comp.name                                  O-[(R)-AMINO(HYDROXY)PHOSPHORYL]-L-SERINE 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "C3 H9 N2 O5 P" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2007-02-13 
_chem_comp.pdbx_modified_date                    2008-10-14 
_chem_comp.pdbx_ambiguous_flag                   ? 
_chem_comp.pdbx_release_status                   REL 
_chem_comp.pdbx_replaced_by                      ? 
_chem_comp.pdbx_replaces                         ? 
_chem_comp.formula_weight                        184.088 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     SVW 
_chem_comp.pdbx_model_coordinates_details        ? 
_chem_comp.pdbx_model_coordinates_missing_flag   Y 
_chem_comp.pdbx_ideal_coordinates_details        "OpenEye/OEToolkits V1.4.2" 
_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                  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 
SVW N    N    N 0 1 N N N 25.587 12.148 14.330 -4.196 -3.250 0.458  N    SVW 1  
SVW CA   CA   C 0 1 N N S 26.686 12.449 13.390 -3.132 -2.432 0.986  CA   SVW 2  
SVW C    C    C 0 1 N N N 27.940 11.559 13.641 -1.833 -3.176 0.756  C    SVW 3  
SVW O    O    O 0 1 N N N 27.858 10.329 13.438 -1.696 -4.391 0.820  O    SVW 4  
SVW CB   CB   C 0 1 N N N 26.990 13.951 13.362 -3.327 -2.145 2.468  CB   SVW 5  
SVW OG   OG   O 0 1 N N N 27.744 14.305 12.202 -2.231 -1.372 2.942  OG   SVW 6  
SVW O3   O3   O 0 1 N N N 29.573 14.827 11.035 -0.839 -0.299 4.843  O3   SVW 7  
SVW P1   P1   P 0 1 N N R 28.867 15.393 12.248 -2.170 -0.914 4.498  P1   SVW 8  
SVW O4   O4   O 0 1 N N N 29.498 15.203 13.616 -2.392 -2.325 5.272  O4   SVW 9  
SVW N2   N2   N 0 1 N N N 28.865 17.115 11.964 -3.507 0.008  4.807  N2   SVW 10 
SVW OXT  OXT  O 0 1 N N N ?      ?      ?      -0.800 -2.329 0.510  OXT  SVW 11 
SVW HBC1 1HBC H 0 0 N N N 27.497 14.284 14.297 -3.359 -3.073 3.047  HBC1 SVW 12 
SVW HBC2 2HBC H 0 0 N N N 26.059 14.559 13.447 -4.254 -1.589 2.652  HBC2 SVW 13 
SVW H4   H4   H 0 1 N N N 30.180 15.864 13.644 -1.650 -2.698 5.795  H4   SVW 14 
SVW H2N1 1H2N H 0 0 N N N 28.148 17.471 12.596 -3.698 0.238  5.782  H2N1 SVW 15 
SVW H2N2 2H2N H 0 0 N N N 29.597 17.824 11.994 -3.595 0.884  4.294  H2N2 SVW 16 
SVW HXT  HXT  H 0 1 N N N 25.049 11.365 14.321 0.073  -2.759 0.387  HXT  SVW 17 
SVW HN1  HN1  H 0 1 N N N 25.951 12.080 15.259 -4.324 -4.178 0.824  HN1  SVW 18 
SVW HN2  HN2  H 0 1 N N N 24.906 12.880 14.292 -4.653 -2.966 -0.392 HN2  SVW 19 
SVW HC   HC   H 0 1 N N N 26.349 12.183 12.377 -3.149 -1.514 0.389  HC   SVW 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 
SVW N   HN1  SING N N 1  
SVW N   HN2  SING N N 2  
SVW CA  HC   SING N N 3  
SVW N   CA   SING N N 4  
SVW CA  C    SING N N 5  
SVW C   O    DOUB N N 6  
SVW CA  CB   SING N N 7  
SVW CB  OG   SING N N 8  
SVW OG  P1   SING N N 9  
SVW O3  P1   DOUB N N 10 
SVW P1  O4   SING N N 11 
SVW P1  N2   SING N N 12 
SVW C   OXT  SING N N 13 
SVW CB  HBC1 SING N N 14 
SVW CB  HBC2 SING N N 15 
SVW O4  H4   SING N N 16 
SVW N2  H2N1 SING N N 17 
SVW N2  H2N2 SING N N 18 
SVW 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 
SVW SMILES           ACDLabs              10.04 O=P(O)(OCC(C(=O)O)N)N                                                                        
SVW InChI            InChI                1.02b InChI=1/C3H9N2O5P/c4-2(3(6)7)1-10-11(5,8)9/h2H,1,4H2,(H,6,7)(H3,5,8,9)/t2-/m0/s1/f/h6,8H,5H2 
SVW InChIKey         InChI                1.02b MSLTYEXLEBVFLN-UCPUCISKDC                                                                    
SVW SMILES_CANONICAL CACTVS               3.341 N[C@@H](CO[P@@](N)(O)=O)C(O)=O                                                               
SVW SMILES           CACTVS               3.341 N[CH](CO[P](N)(O)=O)C(O)=O                                                                   
SVW SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 C([C@@H](C(=O)O)N)O[P@@](=O)(N)O                                                             
SVW SMILES           "OpenEye OEToolkits" 1.5.0 C(C(C(=O)O)N)OP(=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 
SVW "SYSTEMATIC NAME" ACDLabs              10.04 O-[(R)-amino(hydroxy)phosphoryl]-L-serine                     
SVW "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 "(2S)-2-amino-3-(amino-hydroxy-phosphoryl)oxy-propanoic acid" 
# 
