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- ChemComp-MSK: Broken Fe4S4 cluster -

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Basic information

EntryDatabase: PDB chemical components / ID: MSK
NameName: Broken Fe4S4 cluster

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Chemical information

Composition
Formula: Fe4S4 / Number of atoms: 8 / Formula weight: 351.64 / Formal charge: 2
Others

6t7j

Type: non-polymer / PDB classification: HETAIN / Three letter code: MSK / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6T7J
History
Create componentOct 22, 2019
Initial releaseNov 18, 2020
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 3.385[Fe][S+]1[Fe]2S[Fe]3S[Fe]1[S+]23
OpenEye OEToolkits 2.0.7S1[Fe]2S[Fe]3[S+]2[Fe]1[S+]3[Fe]

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SMILES CANONICAL

CACTVS 3.385[Fe][S+]1[Fe]2S[Fe]3S[Fe]1[S+]23
OpenEye OEToolkits 2.0.7S1[Fe]2S[Fe]3[S+]2[Fe]1[S+]3[Fe]

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InChI

InChI 1.03InChI=1S/4Fe.4S/q;;;;;;2*+1

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InChIKey

InChI 1.03BEJQIPSIAWWLMO-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-6t7j:
As-isolated Ni-free crystal structure of carbon monoxide dehydrogenase from Thermococcus sp. AM4 produced without CooC maturase

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