5WHQ

Crystal structure of the catalase-peroxidase from Neurospora crassa at 2.9 A


Experimental Data Snapshot

  • Method: X-RAY DIFFRACTION
  • Resolution: 2.90 Å
  • R-Value Free: 0.297 
  • R-Value Work: 0.224 
  • R-Value Observed: 0.228 

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This is version 1.3 of the entry. See complete history


Literature

Structure, kinetics, molecular and redox properties of a cytosolic and developmentally regulated fungal catalase-peroxidase.

Vega-Garcia, V.Diaz-Vilchis, A.Saucedo-Vazquez, J.P.Solano-Peralta, A.Rudino-Pinera, E.Hansberg, W.

(2018) Arch Biochem Biophys 640: 17-26

  • DOI: https://doi.org/10.1016/j.abb.2017.12.021
  • Primary Citation of Related Structures:  
    5WHQ, 5WHS

  • PubMed Abstract: 

    CAT-2, a cytosolic catalase-peroxidase (CP) from Neurospora crassa, which is induced during asexual spore formation, was heterologously expressed and characterized. CAT-2 had the Met-Tyr-Trp (M-Y-W) adduct required for catalase activity. Its K M for H 2 O 2 was micromolar for peroxidase and millimolar for catalase activity. A E m  = -158 mV reduction potential value was obtained and the Soret band shift suggested a mixture of low and high spin ferric iron. CAT-2 EPR spectrum at 10 K indicated an axial and a rhombic component. With peroxyacetic acid (PAA), formation of Compound I* was observed with EPR. CAT-2 homodimer crystallographic structure contained two K + ions; Glu107 residues were displaced to bind them. CAT-2 showed the essential amino acid residues for activity in similar positions to other CPs. CAT-2 Arg426 is oriented towards the M-Y-W adduct, interacting with the deprotonated Tyr238 hydroxyl group. A perhydroxy modification of the indole nitrogen of Trp90 was oriented toward the catalytic His91. In contrast to cytochrome c peroxidase and ascorbate peroxidase, the catalase-peroxidase heme propionates are not exposed to the solvent. Together with other N. crassa enzymes that utilize H 2 O 2 as a substrate, CAT-2 has many tryptophan and proline residues at its surface, probably related to H 2 O 2 selection in water.


  • Organizational Affiliation

    Departamento de Biología Celular y del Desarrollo, Instituto de Fisiología Celular, Universidad Nacional Autónoma de México, UNAM, Mexico.


Macromolecules
Find similar proteins by:  (by identity cutoff)  |  3D Structure
Entity ID: 1
MoleculeChains Sequence LengthOrganismDetailsImage
Catalase-peroxidase
A, B
768Neurospora crassa OR74AMutation(s): 0 
Gene Names: katGcat-2NCU05770
EC: 1.11.1.21
UniProt
Find proteins for Q8X182 (Neurospora crassa (strain ATCC 24698 / 74-OR23-1A / CBS 708.71 / DSM 1257 / FGSC 987))
Explore Q8X182 
Go to UniProtKB:  Q8X182
Entity Groups  
Sequence Clusters30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt GroupQ8X182
Sequence Annotations
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  • Reference Sequence
Experimental Data & Validation

Experimental Data

  • Method: X-RAY DIFFRACTION
  • Resolution: 2.90 Å
  • R-Value Free: 0.297 
  • R-Value Work: 0.224 
  • R-Value Observed: 0.228 
  • Space Group: P 21 21 21
Unit Cell:
Length ( Å )Angle ( ˚ )
a = 104.306α = 90
b = 115.648β = 90
c = 123.035γ = 90
Software Package:
Software NamePurpose
REFMACrefinement
PDB_EXTRACTdata extraction
XDSdata reduction
XDSdata scaling
PHASERphasing

Structure Validation

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Ligand Structure Quality Assessment 


Entry History & Funding Information

Deposition Data


Funding OrganizationLocationGrant Number
PAPIIT-UNAMMexicoIN208717

Revision History  (Full details and data files)

  • Version 1.0: 2018-01-17
    Type: Initial release
  • Version 1.1: 2018-01-24
    Changes: Database references
  • Version 1.2: 2018-10-31
    Changes: Advisory, Data collection, Derived calculations
  • Version 1.3: 2023-10-04
    Changes: Data collection, Database references, Derived calculations, Refinement description