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- ChemComp-Q46: Fe4 H S5 -

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Basic information

EntryDatabase: PDB chemical components / ID: Q46
NameName: Fe4 H S5

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Chemical information

Composition
Formula: Fe4HS5 / Number of atoms: 10 / Formula weight: 384.713 / Formal charge: 4
Others

5mkp

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: Q46 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5MKP
History
Create componentDec 6, 2016
Initial releaseJun 14, 2017
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 3.385S[Fe]12[S+]3[Fe]4[S+]5[Fe]3[S+]1[Fe]5[S+]24
OpenEye OEToolkits 2.0.6S[Fe]12[S+]3[Fe]4[S+]1[Fe]5[S+]4[Fe]3[S+]25

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SMILES CANONICAL

CACTVS 3.385S[Fe]12[S+]3[Fe]4[S+]5[Fe]3[S+]1[Fe]5[S+]24
OpenEye OEToolkits 2.0.6S[Fe]12[S+]3[Fe]4[S+]1[Fe]5[S+]4[Fe]3[S+]25

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InChI

InChI 1.03InChI=1S/4Fe.H2S.4S/h;;;;1H2;;;;/q;;;+1;;4*+1/p-1

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InChIKey

InChI 1.03IBBAXWHZAAYJDG-UHFFFAOYSA-M

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PDB entries

Showing all 3 items

PDB-5mkp:
Non redox thiolation in transfer RNAs occuring via sulfur activation by a [4Fe-4S] cluster

PDB-8vcw:
X-Ray Crystal Structure of the biotin synthase from B. obeum

PDB-8vdw:
X-Ray Crystal Structure of the biotin synthase from V. parvula

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