data_FUS
# 
_chem_comp.id                                    FUS 
_chem_comp.name                                  "sulfuric diamide" 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "H4 N2 O2 S" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2018-04-18 
_chem_comp.pdbx_modified_date                    2018-08-31 
_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                        96.109 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     FUS 
_chem_comp.pdbx_model_coordinates_details        ? 
_chem_comp.pdbx_model_coordinates_missing_flag   N 
_chem_comp.pdbx_ideal_coordinates_details        Corina 
_chem_comp.pdbx_ideal_coordinates_missing_flag   N 
_chem_comp.pdbx_model_coordinates_db_code        6D2N 
_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 
FUS NAA N1 N 0 1 N N N -27.753 11.719 -16.622 1.373  -0.001 0.804  NAA FUS 1 
FUS SAE S1 S 0 1 N N N -28.006 10.099 -16.547 -0.005 0.000  -0.114 SAE FUS 2 
FUS OAC O1 O 0 1 N N N -29.467 9.874  -16.833 -0.037 1.250  -0.789 OAC FUS 3 
FUS OAD O2 O 0 1 N N N -27.655 9.554  -15.189 -0.038 -1.249 -0.791 OAD FUS 4 
FUS NAB N2 N 0 1 N N N -27.049 9.271  -17.596 -1.291 -0.000 0.930  NAB FUS 5 
FUS H1  H1 H 0 1 N N N -28.354 12.181 -15.970 1.776  0.839  1.074  H1  FUS 6 
FUS H2  H2 H 0 1 N N N -26.800 11.918 -16.396 1.774  -0.841 1.076  H2  FUS 7 
FUS H3  H3 H 0 1 N N N -26.088 9.443  -17.378 -1.137 -0.001 1.888  H3  FUS 8 
FUS H4  H4 H 0 1 N N N -27.239 8.292  -17.519 -2.197 0.000  0.584  H4  FUS 9 
# 
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 
FUS NAB SAE SING N N 1 
FUS OAC SAE DOUB N N 2 
FUS NAA SAE SING N N 3 
FUS SAE OAD DOUB N N 4 
FUS NAA H1  SING N N 5 
FUS NAA H2  SING N N 6 
FUS NAB H3  SING N N 7 
FUS NAB H4  SING N N 8 
# 
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 
FUS SMILES           ACDLabs              12.01 "NS(=O)(=O)N"                               
FUS InChI            InChI                1.03  "InChI=1S/H4N2O2S/c1-5(2,3)4/h(H4,1,2,3,4)" 
FUS InChIKey         InChI                1.03  NVBFHJWHLNUMCV-UHFFFAOYSA-N                 
FUS SMILES_CANONICAL CACTVS               3.385 "N[S](N)(=O)=O"                             
FUS SMILES           CACTVS               3.385 "N[S](N)(=O)=O"                             
FUS SMILES_CANONICAL "OpenEye OEToolkits" 2.0.6 "NS(=O)(=O)N"                               
FUS SMILES           "OpenEye OEToolkits" 2.0.6 "NS(=O)(=O)N"                               
# 
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 
FUS "SYSTEMATIC NAME" ACDLabs              12.01 "sulfuric diamide" 
FUS "SYSTEMATIC NAME" "OpenEye OEToolkits" 2.0.6 sulfamide          
# 
loop_
_pdbx_chem_comp_audit.comp_id 
_pdbx_chem_comp_audit.action_type 
_pdbx_chem_comp_audit.date 
_pdbx_chem_comp_audit.processing_site 
FUS "Create component" 2018-04-18 RCSB 
FUS "Initial release"  2018-09-05 RCSB 
#