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- ChemComp-LPJ: FE(6)-S(7) CLUSTER -

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Basic information

EntryDatabase: PDB chemical components / ID: LPJ
NameName: fe(6)-S(7) cluster

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Chemical information

Composition
Formula: Fe6S7 / Number of atoms: 13 / Formula weight: 559.525 / Formal charge: 0
Others

6o7s

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: LPJ / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6O7S
History
Create componentMar 8, 2019
Initial releaseJun 19, 2019
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 3.385S1[Fe]S[Fe](S[Fe]1)S[Fe]2S[Fe]S[Fe]S2
OpenEye OEToolkits 2.0.7S1[Fe][S]2[Fe]1S[Fe]2[S]3[Fe]4S[Fe]5[S]4[Fe]3S5

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SMILES CANONICAL

CACTVS 3.385S1[Fe]S[Fe](S[Fe]1)S[Fe]2S[Fe]S[Fe]S2
OpenEye OEToolkits 2.0.7S1[Fe][S]2[Fe]1S[Fe]2[S]3[Fe]4S[Fe]5[S]4[Fe]3S5

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InChI

InChI 1.03InChI=1S/6Fe.7S

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InChIKey

InChI 1.03KLKIXVGTRIXICL-UHFFFAOYSA-N

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PDB entries

Showing all 1 items

PDB-6o7s:
Nitrogenase MoFeP mutant S188A from Azotobacter vinelandii in the indigo carmine oxidized state

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