› 2iuf

X-ray diffraction
1.71Å resolution

The structures of Penicillium vitale catalase: resting state, oxidised state (compound I) and complex with aminotriazole

Released:
DOI: 10.2210/pdb2iuf/pdb
PDB entry 2iuf coloured by chain, front view.
PDB entry 2iuf coloured by chain, side view.
PDB entry 2iuf coloured by chain, top view.
Source organism: Penicillium janthinellum
Primary publication:
The structures and electronic configuration of compound I intermediates of Helicobacter pylori and Penicillium vitale catalases determined by X-ray crystallography and QM/MM density functional theory calculations.
Alfonso-Prieto M, Borovik A, Carpena X, Murshudov G, Melik-Adamyan W, Fita I, Rovira C, Loewen PC
J Am Chem Soc 129 4193-205 (2007)
PMID: 17358056

Function and Biology Details

Reaction catalysed: 
2 H(2)O(2) = O(2) + 2 H(2)O
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-112992 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecules (2 distinct):
Catalase Chains: A, E
Molecule details ›
Chains: A, E
Length: 688 amino acids
Theoretical weight: 75.58 KDa
Source organism: Penicillium janthinellum
UniProt:
  • Canonical: D9N167 (Residues: 1-688; Coverage: 100%)
Sequence domains:
Structure domains:

Ligands and Environments


Cofactor: Ligand HDD 2 x HDD
Carbohydrate polymer : NEW Components: NAG
Carbohydrate polymer
6 bound ligands:
Ligand NAG 5 x NAG
Ligand O 2 x O
Ligand CA 6 x CA
Ligand ACT 13 x ACT
Ligand F50 3 x F50
Ligand MPD 1 x MPD
1 modified residue:
Ligand MHO 10 x MHO

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU RU200
Spacegroup: P3121
Unit cell:
a: 142.44Å b: 142.44Å c: 132.23Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.131 0.129 0.154

Quick links

Citations

8 review citations

QM/MM methods for biomolecular systems.
Senn et al. (2009)
7 more

4 mentions without citation

Monofunctional Heme-Catalases.
Hansberg W. (2022)
3 more