data_CUZ
# 
_chem_comp.id                                    CUZ 
_chem_comp.name                                  "(MU-4-SULFIDO)-TETRA-NUCLEAR COPPER ION" 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "Cu4 S" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         ? 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     1999-11-02 
_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                        286.249 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     CUZ 
_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   Y 
_chem_comp.pdbx_model_coordinates_db_code        1QNI 
_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 
CUZ CU1 CU1 CU 0 0 N N N 109.445 32.490 -5.787 ? ? ? CU1 CUZ 1 
CUZ CU2 CU2 CU 0 0 N N N 112.056 34.438 -5.106 ? ? ? CU2 CUZ 2 
CUZ CU3 CU3 CU 0 0 N N N 110.644 34.065 -8.097 ? ? ? CU3 CUZ 3 
CUZ CU4 CU4 CU 0 0 N N N 108.226 33.930 -7.437 ? ? ? CU4 CUZ 4 
CUZ S1  S1  S  0 1 N N N 109.822 34.742 -5.721 ? ? ? S1  CUZ 5 
# 
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 
CUZ CU1 CU3 SING N N 1 
CUZ CU1 CU4 SING N N 2 
CUZ CU1 S1  SING N N 3 
CUZ CU2 CU3 SING N N 4 
CUZ CU2 CU4 SING N N 5 
CUZ CU2 S1  SING N N 6 
CUZ CU3 CU4 SING N N 7 
CUZ CU3 S1  SING N N 8 
CUZ CU4 S1  SING N N 9 
# 
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 
CUZ InChI            InChI                1.02b InChI=1/4Cu.S/rCu4S/c1-3-2-4(1,3)5(1,2)3 
CUZ InChIKey         InChI                1.02b IGIWMDIIFLPFOP-RRJHKGSEAD                
CUZ SMILES_CANONICAL CACTVS               3.341 [Cu]|12|[Cu]|34|[Cu]5|[Cu]|1|3[S]245     
CUZ SMILES           CACTVS               3.341 [Cu]|12|[Cu]|34|[Cu]5|[Cu]|1|3[S]245     
CUZ SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 S123[Cu]4[Cu]15[Cu]24[Cu]35              
CUZ SMILES           "OpenEye OEToolkits" 1.5.0 S123[Cu]4[Cu]15[Cu]24[Cu]35              
# 
