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- ChemComp-S3F: oxidized [Fe4-S3] cluster -

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Basic information

EntryDatabase: PDB chemical components / ID: S3F
NameName: oxidized [Fe4-S3] cluster

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Chemical information

Composition
Formula: Fe4OS3 / Number of atoms: 8 / Formula weight: 335.574 / Formal charge: 0
Others

4iub

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: S3F / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4IUB
History
Create componentJan 30, 2013
Modify synonymsFeb 27, 2013
Initial releaseApr 2, 2014
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 3.370O|[Fe]|1S|2[Fe]S[Fe]|2S|1[Fe]
OpenEye OEToolkits 1.7.6[O][Fe]1[S]([Fe]2[S]1[Fe]S2)[Fe]

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SMILES CANONICAL

CACTVS 3.370O|[Fe]|1S|2[Fe]S[Fe]|2S|1[Fe]
OpenEye OEToolkits 1.7.6[O][Fe]1[S]([Fe]2[S]1[Fe]S2)[Fe]

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InChI

InChI 1.03InChI=1S/4Fe.H2O.3S/h;;;;1H2;;;/q;;;+1;;;;/p-1

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InChIKey

InChI 1.03ROWMPBKAWWBNCP-UHFFFAOYSA-M

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PDB entries

Showing all 3 items

PDB-4iub:
Crystal structure of an O2-tolerant [NiFe]-hydrogenase from Ralstonia eutropha in its as-isolated form - oxidized state 1

PDB-4iuc:
Crystal structure of an O2-tolerant [NiFe]-hydrogenase from Ralstonia eutropha in its as-isolated form - oxidized state 2

PDB-4iud:
Crystal structure of an O2-tolerant [NiFe]-hydrogenase from Ralstonia eutropha in its as-isolated form with ascorbate - partly reduced state

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