› 6ekw

X-ray diffraction
1.43Å resolution

Direct-evolutioned unspecific peroxygenase from Agrocybe aegerita, in complex with naphthalene

Released:
DOI: 10.2210/pdb6ekw/pdb
PDB entry 6ekw coloured by chain, front view.
PDB entry 6ekw coloured by chain, side view.
PDB entry 6ekw coloured by chain, top view.
Source organism: Cyclocybe aegerita
Primary publication:
Structural Insights into the Substrate Promiscuity of a Laboratory-Evolved Peroxygenase.
Ramirez-Escudero M, Molina-Espeja P, Gomez de Santos P, Hofrichter M, Sanz-Aparicio J, Alcalde M
ACS Chem Biol 13 3259-3268 (2018)
PMID: 30376293

Function and Biology Details

Reaction catalysed: 
RH + H(2)O(2) = ROH + H(2)O
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-110918 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Aromatic peroxygenase Chain: A
Molecule details ›
Chain: A
Length: 328 amino acids
Theoretical weight: 35.95 KDa
Source organism: Cyclocybe aegerita
Expression system: Komagataella phaffii CBS 7435
UniProt:
  • Canonical: B9W4V6 (Residues: 44-371; Coverage: 93%)
Gene name: APO1
Sequence domains: Peroxidase, family 2
Structure domains: Chloroperoxidase-like

Ligands and Environments


Cofactor: Ligand HEM 1 x HEM
7 bound ligands:
Ligand MG 1 x MG
Ligand CL 1 x CL
Ligand NAG 5 x NAG
Ligand PO4 1 x PO4
Ligand NPY 1 x NPY
Ligand GOL 7 x GOL
Ligand MOH 15 x MOH
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALBA BEAMLINE XALOC
Spacegroup: P21
Unit cell:
a: 51.187Å b: 57.743Å c: 61.104Å
α: 90° β: 109.46° γ: 90°
R-values:
R R work R free
0.157 0.155 0.18
Expression system: Komagataella phaffii CBS 7435

Quick links

Citations

6 review citations

Recent developments in the use of peroxygenases - Exploring their high potential in selective oxyfunctionalisations.
Hobisch et al. (2021)
5 more