9F66

Crystal structure of Heme-Oxygenase from Corynebacterium diphtheriae complexed with Cobalt-porphyrine (HumO-Co(III)) flash-cooled under CO2 pressure


Experimental Data Snapshot

  • Method: X-RAY DIFFRACTION
  • Resolution: 1.85 Å
  • R-Value Free: 0.231 
  • R-Value Work: 0.186 
  • R-Value Observed: 0.188 

Starting Model: experimental
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Literature

Light-Activated Artificial CO 2 -Reductase: Structure and Activity.

Labidi, R.J.Faivre, B.Carpentier, P.Perard, J.Gotico, P.Li, Y.Atta, M.Fontecave, M.

(2024) J Am Chem Soc 

  • DOI: https://doi.org/10.1021/jacs.4c08927
  • Primary Citation of Related Structures:  
    9F5U, 9F66, 9FVS, 9FW4, 9FY4

  • PubMed Abstract: 

    Light-dependent reduction of carbon dioxide (CO 2 ) into value-added products can be catalyzed by a variety of molecular complexes. Here we report a rare example of a structurally characterized artificial enzyme, resulting from the combination of a heme binding protein, heme oxygenase, with cobalt-protoporphyrin IX, with good activity for the photoreduction of CO 2 to carbon monoxide (CO). Using a copper-based photosensitizer, thus making the photosystem free of noble metals, a large turnover frequency value of ∼616 h -1 , a turnover value of ∼589, after 3 h reaction, and a CO vs H 2 selectivity of 72% were obtained, establishing a record among previously reported artificial CO 2 reductases. Thorough photophysical studies allowed tracking of reaction intermediates and provided insights into the reaction mechanism. Thanks to a high-resolution crystal structure of the artificial enzyme, both in the absence and in the presence of the protein-bound CO 2 substrate, a rational site-directed mutagenesis approach was used to study the effect of some modifications of the active site on the activity.


  • Organizational Affiliation

    Laboratoire de Chimie des Processus Biologiques, UMR 8229, Collège de France, CNRS, Sorbonne Université, 11, Place Marcellin-Berthelot, Paris 75005, France.


Macromolecules
Find similar proteins by:  (by identity cutoff)  |  3D Structure
Entity ID: 1
MoleculeChains Sequence LengthOrganismDetailsImage
heme oxygenase (biliverdin-producing)215Corynebacterium diphtheriaeMutation(s): 0 
EC: 1.14.14.18
UniProt
Find proteins for P71119 (Corynebacterium diphtheriae (strain ATCC 700971 / NCTC 13129 / Biotype gravis))
Explore P71119 
Go to UniProtKB:  P71119
Entity Groups  
Sequence Clusters30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt GroupP71119
Sequence Annotations
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  • Reference Sequence
Experimental Data & Validation

Experimental Data

  • Method: X-RAY DIFFRACTION
  • Resolution: 1.85 Å
  • R-Value Free: 0.231 
  • R-Value Work: 0.186 
  • R-Value Observed: 0.188 
  • Space Group: C 2 2 21
Unit Cell:
Length ( Å )Angle ( ˚ )
a = 66.947α = 90
b = 70.671β = 90
c = 94.561γ = 90
Software Package:
Software NamePurpose
PHENIXrefinement
XDSdata reduction
Aimlessdata scaling
PHASERphasing

Structure Validation

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Ligand Structure Quality Assessment 


Entry History & Funding Information

Deposition Data


Funding OrganizationLocationGrant Number
Laboratories of Excellence (LabEx)FranceANR-17-EURE-0003
Laboratories of Excellence (LabEx)FranceANR-11-LABX-0011

Revision History  (Full details and data files)

  • Version 1.0: 2024-10-16
    Type: Initial release