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- ChemComp-FSX: BIS-(MU-2-OXO),[(MU-3--SULFIDO)-BIS(MU-2--SULFIDO)-TRIS(CYS-S)-TR... -

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Basic information

EntryDatabase: PDB chemical components / ID: FSX
NameName: bis-(mu-2-oxo),[(mu-3--sulfido)-bis(mu-2--sulfido)-tris(cys-S)-tri-iron] (aqua)(glu-O)iron(ii)
Synonyms: FE4-S3-O3 CLUSTER

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Chemical information

Composition
Formula: Fe4O3S3 / Number of atoms: 10 / Formula weight: 367.573 / Formal charge: 0
Others

1e3d

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: FSX / Ideal coordinates details: Corina / Model coordinates PDB-ID: 1E3D / Ambiguous flag: Yes
History
Modify synonymsMar 1, 2021
Modify descriptorSep 23, 2023
External linksUniChem / ChemSpider / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

CACTVS 3.385O.O1[Fe]O[Fe]2S[Fe]S[Fe]1S2
OpenEye OEToolkits 2.0.7[O][Fe]1O[Fe]23S[Fe]245[S]3[Fe]4(O1)S5

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SMILES CANONICAL

CACTVS 3.385O.O1[Fe]O[Fe]2S[Fe]S[Fe]1S2
OpenEye OEToolkits 2.0.7[O][Fe]1O[Fe]23S[Fe]245[S]3[Fe]4(O1)S5

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InChI

InChI 1.06InChI=1S/4Fe.H2O.2O.3S/h;;;;1H2;;;;;/q;;;+1;;;;;;/p-1

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InChIKey

InChI 1.06BIOGFUMNBIDAOG-UHFFFAOYSA-M

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PDB entries

Showing all 4 items

PDB-1e3d:
[NiFe] Hydrogenase from Desulfovibrio desulfuricans ATCC 27774

PDB-2wpn:
Structure of the oxidised, as-isolated NiFeSe hydrogenase from D. vulgaris Hildenborough

PDB-3ze6:
3D structure of the Ni-Fe-Se hydrogenase from D. vulgaris Hildenborough in the as-isolated oxidized state at 1.50 Angstroms

PDB-3ze9:
3D structure of the NiFeSe hydrogenase from D. vulgaris Hildenborough in the oxidized as-isolated state at 1.33 Angstroms

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