data_S4P
# 
_chem_comp.id                                    S4P 
_chem_comp.name                                  "Dihydrogen tetrasulfide" 
_chem_comp.type                                  NON-POLYMER 
_chem_comp.pdbx_type                             HETAIN 
_chem_comp.formula                               "H2 S4" 
_chem_comp.mon_nstd_parent_comp_id               ? 
_chem_comp.pdbx_synonyms                         Tetrasulfane 
_chem_comp.pdbx_formal_charge                    0 
_chem_comp.pdbx_initial_date                     2016-06-10 
_chem_comp.pdbx_modified_date                    2024-09-27 
_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                        130.276 
_chem_comp.one_letter_code                       ? 
_chem_comp.three_letter_code                     S4P 
_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        5B7R 
_chem_comp.pdbx_subcomponent_list                ? 
_chem_comp.pdbx_processing_site                  RCSB 
_chem_comp.pdbx_pcm                              Y 
# 
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.pdbx_backbone_atom_flag 
_chem_comp_atom.pdbx_n_terminal_atom_flag 
_chem_comp_atom.pdbx_c_terminal_atom_flag 
_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 
S4P S4 S1 S 0 1 N N N N N N -75.784 -4.544 28.588 1.989  0.725  0.271  S4 S4P 1 
S4P S3 S2 S 0 1 N N N N N N -77.598 -3.625 28.735 0.845  -0.748 -0.581 S3 S4P 2 
S4P S2 S3 S 0 1 N N N N N N -77.356 -1.644 28.957 -0.845 -0.748 0.581  S2 S4P 3 
S4P S1 S4 S 0 1 N N N N N N -78.986 -0.917 27.988 -1.989 0.725  -0.271 S1 S4P 4 
S4P H1 H1 H 0 1 N N N N N N -76.123 -5.792 28.452 3.098  0.725  -0.491 H1 S4P 5 
S4P H2 H2 H 0 1 N N N N N N -78.834 0.366  28.129 -3.098 0.725  0.491  H2 S4P 6 
# 
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 
S4P S1 S2 SING N N 1 
S4P S4 S3 SING N N 2 
S4P S3 S2 SING N N 3 
S4P S4 H1 SING N N 4 
S4P S1 H2 SING N N 5 
# 
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 
S4P InChI            InChI                1.03  InChI=1S/H2S4/c1-3-4-2/h1-2H 
S4P InChIKey         InChI                1.03  IKRMQEUTISXXQP-UHFFFAOYSA-N  
S4P SMILES_CANONICAL CACTVS               3.385 SSSS                         
S4P SMILES           CACTVS               3.385 SSSS                         
S4P SMILES_CANONICAL "OpenEye OEToolkits" 2.0.5 SSSS                         
S4P SMILES           "OpenEye OEToolkits" 2.0.5 SSSS                         
# 
loop_
_pdbx_chem_comp_audit.comp_id 
_pdbx_chem_comp_audit.action_type 
_pdbx_chem_comp_audit.date 
_pdbx_chem_comp_audit.processing_site 
S4P "Create component" 2016-06-10 RCSB 
S4P "Initial release"  2018-11-21 RCSB 
S4P "Modify synonyms"  2021-03-01 PDBE 
S4P "Modify PCM"       2024-09-27 PDBE 
# 
_pdbx_chem_comp_synonyms.ordinal      1 
_pdbx_chem_comp_synonyms.comp_id      S4P 
_pdbx_chem_comp_synonyms.name         Tetrasulfane 
_pdbx_chem_comp_synonyms.provenance   ? 
_pdbx_chem_comp_synonyms.type         ? 
# 
loop_
_pdbx_chem_comp_pcm.pcm_id 
_pdbx_chem_comp_pcm.comp_id 
_pdbx_chem_comp_pcm.modified_residue_id 
_pdbx_chem_comp_pcm.type 
_pdbx_chem_comp_pcm.category 
_pdbx_chem_comp_pcm.position 
_pdbx_chem_comp_pcm.polypeptide_position 
_pdbx_chem_comp_pcm.comp_id_linking_atom 
_pdbx_chem_comp_pcm.modified_residue_id_linking_atom 
_pdbx_chem_comp_pcm.uniprot_specific_ptm_accession 
_pdbx_chem_comp_pcm.uniprot_generic_ptm_accession 
1 S4P CYS None Crosslinker "Amino-acid side chain" "Any position" S1 SG ? ? 
2 S4P CYS None Crosslinker "Amino-acid side chain" "Any position" S4 SG ? ? 
# 
