data_1GN
# 
_chem_comp.id                                    1GN 
_chem_comp.name                                  2-DEOXY-2-AMINOGALACTOSE 
_chem_comp.type                                  SACCHARIDE 
_chem_comp.pdbx_type                             ATOMS 
_chem_comp.formula                               "C6 H13 N O5" 
_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                    2008-10-14 
_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                        179.171 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     1GN 
_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        3GAL 
_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 
1GN C2   C2   C 0 1 N N R -19.719 -21.104 -7.161 0.332  0.138  1.529  C2   1GN 1  
1GN C3   C3   C 0 1 N N R -20.272 -19.768 -6.620 -0.974 -0.570 1.158  C3   1GN 2  
1GN C4   C4   C 0 1 N N R -19.117 -18.813 -6.300 -1.356 -0.177 -0.273 C4   1GN 3  
1GN O5   O5   O 0 1 N N N -17.752 -19.932 -7.988 0.951  0.321  -0.802 O5   1GN 4  
1GN C1   C1   C 0 1 N N R -18.826 -20.816 -8.367 1.388  -0.167 0.465  C1   1GN 5  
1GN O1   O1   O 0 1 N Y N -18.283 -22.002 -8.845 2.618  0.467  0.819  O1   1GN 6  
1GN N2   N2   N 0 1 N N N -20.792 -22.001 -7.549 0.798  -0.343 2.837  N2   1GN 7  
1GN O3   O3   O 0 1 N N N -21.047 -19.978 -5.447 -2.013 -0.176 2.056  O3   1GN 8  
1GN O4   O4   O 0 1 N N N -18.344 -19.332 -5.230 -1.677 1.214  -0.317 O4   1GN 9  
1GN C5   C5   C 0 1 N N R -18.230 -18.640 -7.529 -0.172 -0.459 -1.201 C5   1GN 10 
1GN C6   C6   C 0 1 N N N -17.020 -17.780 -7.243 -0.557 -0.098 -2.638 C6   1GN 11 
1GN O6   O6   O 0 1 N N N -16.175 -17.694 -8.379 0.543  -0.367 -3.508 O6   1GN 12 
1GN H2   H2   H 0 1 N N N -19.132 -21.602 -6.354 0.162  1.214  1.577  H2   1GN 13 
1GN H3   H3   H 0 1 N N N -20.923 -19.319 -7.405 -0.831 -1.649 1.215  H3   1GN 14 
1GN H4   H4   H 0 1 N N N -19.538 -17.823 -6.006 -2.218 -0.761 -0.594 H4   1GN 15 
1GN H1   H1   H 0 1 N N N -19.444 -20.335 -9.160 1.540  -1.244 0.404  H1   1GN 16 
1GN HO1  HO1  H 0 1 N N N -17.727 -21.822 -9.594 3.255  0.250  0.125  HO1  1GN 17 
1GN HN21 1HN2 H 0 0 N N N -20.426 -22.883 -7.906 1.657  0.146  3.036  HN21 1GN 18 
1GN HN22 2HN2 H 0 0 N N N -21.425 -21.560 -8.216 0.122  -0.032 3.518  HN22 1GN 19 
1GN HO3  HO3  H 0 1 N N N -21.387 -19.155 -5.114 -1.732 -0.442 2.943  HO3  1GN 20 
1GN HO4  HO4  H 0 1 N N N -17.628 -18.740 -5.031 -1.904 1.419  -1.234 HO4  1GN 21 
1GN H5   H5   H 0 1 N N N -18.857 -18.143 -8.305 0.084  -1.517 -1.150 H5   1GN 22 
1GN H61  1H6  H 0 1 N N N -17.312 -16.770 -6.871 -1.417 -0.695 -2.944 H61  1GN 23 
1GN H62  2H6  H 0 1 N N N -16.465 -18.137 -6.344 -0.812 0.959  -2.691 H62  1GN 24 
1GN HO6  HO6  H 0 1 N N N -15.414 -17.153 -8.199 0.259  -0.127 -4.400 HO6  1GN 25 
# 
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 
1GN C2 C3   SING N N 1  
1GN C2 C1   SING N N 2  
1GN C2 N2   SING N N 3  
1GN C2 H2   SING N N 4  
1GN C3 C4   SING N N 5  
1GN C3 O3   SING N N 6  
1GN C3 H3   SING N N 7  
1GN C4 O4   SING N N 8  
1GN C4 C5   SING N N 9  
1GN C4 H4   SING N N 10 
1GN O5 C1   SING N N 11 
1GN O5 C5   SING N N 12 
1GN C1 O1   SING N N 13 
1GN C1 H1   SING N N 14 
1GN O1 HO1  SING N N 15 
1GN N2 HN21 SING N N 16 
1GN N2 HN22 SING N N 17 
1GN O3 HO3  SING N N 18 
1GN O4 HO4  SING N N 19 
1GN C5 C6   SING N N 20 
1GN C5 H5   SING N N 21 
1GN C6 O6   SING N N 22 
1GN C6 H61  SING N N 23 
1GN C6 H62  SING N N 24 
1GN O6 HO6  SING N N 25 
# 
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 
1GN SMILES           ACDLabs              10.04 OC1C(O)C(OC(O)C1N)CO                                                                  
1GN InChI            InChI                1.02b InChI=1/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2/t2-,3-,4+,5-,6-/m1/s1 
1GN InChIKey         InChI                1.02b MSWZFWKMSRAUBD-VFUOTHLCBM                                                             
1GN SMILES_CANONICAL CACTVS               3.341 N[C@H]1[C@H](O)O[C@H](CO)[C@H](O)[C@@H]1O                                             
1GN SMILES           CACTVS               3.341 N[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1O                                                   
1GN SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)N)O)O)O                                      
1GN SMILES           "OpenEye OEToolkits" 1.5.0 C(C1C(C(C(C(O1)O)N)O)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 
1GN "SYSTEMATIC NAME" ACDLabs              10.04 2-amino-2-deoxy-beta-D-galactopyranose                      
1GN "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 (2R,3R,4R,5R,6R)-3-amino-6-(hydroxymethyl)oxane-2,4,5-triol 
# 
