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- ChemComp-CUN: CU(I)-S-MO(IV)(=O)OH CLUSTER -

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Basic information

EntryDatabase: PDB chemical components / ID: CUN
NameName: cu(I)-S-mo(iv)(=O)oh cluster

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Chemical information

Composition
Formula: CuHMoO2S / Number of atoms: 6 / Formula weight: 224.558 / Formal charge: 5
Others

1n61

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: CUN / Model coordinates PDB-ID: 1N61
History
Create componentNov 14, 2002
Modify descriptorJun 4, 2011
Modify nameJun 7, 2011
Modify descriptorJun 7, 2011
Modify identifierJun 7, 2011
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

ACDLabs 12.01[Cu+]S[Mo+4](=O)O
CACTVS 3.370O[Mo+4](=O)S[Cu+]
OpenEye OEToolkits 1.7.2O[Mo+4](=O)S[Cu+]

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SMILES CANONICAL

CACTVS 3.370O[Mo+4](=O)S[Cu+]
OpenEye OEToolkits 1.7.2O[Mo+4](=O)S[Cu+]

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InChI

InChI 1.03InChI=1S/Cu.Mo.H2O.O.S/h;;1H2;;/q+1;+5;;;/p-1

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InChIKey

InChI 1.03GIYZUGIRDQLYSY-UHFFFAOYSA-M

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PDB entries

Showing all 3 items

PDB-1n61:
Crystal Structure of the Cu,Mo-CO Dehydrogenase (CODH); Dithionite reduced state

PDB-1n63:
Crystal Structure of the Cu,Mo-CO Dehydrogenase (CODH); Carbon monoxide reduced state

PDB-8uem:
The CryoEM structure of the high affinity Carbon monoxide dehydrogenase from Mycobacterium smegmatis

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