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PDBsum entry 4udy
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Oxidoreductase
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PDB id
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4udy
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References listed in PDB file
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Key reference
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Title
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How the [nife4s4] cluster of co dehydrogenase activates co2 and nco(-).
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Authors
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J.Fesseler,
J.H.Jeoung,
H.Dobbek.
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Ref.
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Angew Chem Int Ed Engl, 2015,
54,
8560-8564.
[DOI no: ]
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PubMed id
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Abstract
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Ni,Fe-containing CO dehydrogenases (CODHs) use a [NiFe4 S4 ] cluster, termed
cluster C, to reversibly reduce CO2 to CO with high turnover number. Binding to
Ni and Fe activates CO2 , but current crystal structures have insufficient
resolution to analyze the geometry of bound CO2 and reveal the extent and nature
of its activation. The crystal structures of CODH in complex with CO2 and the
isoelectronic inhibitor NCO(-) are reported at true atomic resolution (dmin
≤1.1 Å). Like CO2 , NCO(-) is a μ2 ,η(2) ligand of the cluster and acts
as a mechanism-based inhibitor. While bound CO2 has the geometry of a
carboxylate group, NCO(-) is transformed into a carbamoyl group, thus indicating
that both molecules undergo a formal two-electron reduction after binding and
are stabilized by substantial π backbonding. The structures reveal the
combination of stable μ2 ,η(2) coordination by Ni and Fe2 with reductive
activation as the basis for both the turnover of CO2 and inhibition by NCO(-) .
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