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- ChemComp-D6N: FeV -

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Basic information

EntryDatabase: PDB chemical components / ID: D6N
NameName: FeV

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Chemical information

Composition
Formula: CFe7NS7V / Number of atoms: 17 / Formula weight: 692.329 / Formal charge: 0
Others

6fea

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: D6N / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6FEA
History
Create componentJan 2, 2018
Initial releaseMar 28, 2018
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 3.385N[Fe]1S[V]2S[Fe][C]1345[Fe]S[Fe]3S[Fe]S[Fe]4S[Fe]5S2
OpenEye OEToolkits 2.0.6C12345[Fe]6[S]7[Fe]18[N][Fe]29[S]1[Fe]3[S]2[Fe]1[S]9[Fe]42S[Fe]51[S]6[V]7[S]81

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SMILES CANONICAL

CACTVS 3.385N[Fe]1S[V]2S[Fe][C]1345[Fe]S[Fe]3S[Fe]S[Fe]4S[Fe]5S2
OpenEye OEToolkits 2.0.6C12345[Fe]6[S]7[Fe]18[N][Fe]29[S]1[Fe]3[S]2[Fe]1[S]9[Fe]42S[Fe]51[S]6[V]7[S]81

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InChI

InChI 1.03InChI=1S/C.7Fe.HN.7S.V/h;;;;;;;;1H;;;;;;;;

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InChIKey

InChI 1.03YNVNIECPQFRAMK-UHFFFAOYSA-N

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PDB entries

Showing all 4 items

PDB-6fea:
A. vinelandii vanadium nitrogenase, turnover state

PDB-7adr:
CO bound as bridging ligand at the active site of vanadium nitrogenase VFe protein

PDB-7ady:
CO-removed state of the active site of vanadium nitrogenase VFe protein

PDB-7aiz:
Vanadium nitrogenase VFe protein, high CO state

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