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- ChemComp-CFN: FE(7)-MO-S(9)-N CLUSTER -

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Basic information

EntryDatabase: PDB chemical components / ID: CFN
NameName: fe(7)-mo-S(9)-N cluster

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Chemical information

Composition
Formula: Fe7MoNS9 / Number of atoms: 18 / Formula weight: 789.447 / Formal charge: 0
Others

1m1n

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: CFN / Ideal coordinates details: Corina / Model coordinates PDB-ID: 1M1N / Ambiguous flag: Yes
History
Create componentJul 23, 2002
Other modificationFeb 19, 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 3.385[N-5]|1|2|3|4|5|[Fe]6|7S[Fe]|8|1S9|[Fe]%10|2S[Fe]%11|3|S6[Mo]%12|S%11[Fe]|4(S[Fe]%13|5|S%10[Fe]9S|8%13)S|7%12
OpenEye OEToolkits 1.7.6N12345[Fe]67S[Fe]18[S]9[Fe]21S[Fe]32[S]6[Fe]3[S]7[Fe]4([S]23)S[Fe]52[S]8[Mo]9[S]12

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SMILES CANONICAL

CACTVS 3.385[N-5]|1|2|3|4|5|[Fe]6|7S[Fe]|8|1S9|[Fe]%10|2S[Fe]%11|3|S6[Mo]%12|S%11[Fe]|4(S[Fe]%13|5|S%10[Fe]9S|8%13)S|7%12
OpenEye OEToolkits 1.7.6N12345[Fe]67S[Fe]18[S]9[Fe]21S[Fe]32[S]6[Fe]3[S]7[Fe]4([S]23)S[Fe]52[S]8[Mo]9[S]12

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InChI

InChI 1.03InChI=1S/7Fe.Mo.N.9S

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InChIKey

InChI 1.03OSSJGSCTDHHOOW-UHFFFAOYSA-N

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PDB entries

Showing all 4 items

PDB-1m1n:
Nitrogenase MoFe protein from Azotobacter vinelandii

PDB-2afh:
Crystal Structure of Nucleotide-Free Av2-Av1 Complex

PDB-2afi:
Crystal Structure of MgADP bound Av2-Av1 Complex

PDB-3k1a:
Insights into substrate binding at FeMo-cofactor in nitrogenase from the structure of an alpha-70Ile MoFe protein variant

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