› 5omr

X-ray diffraction
1.68Å resolution

Crystal structure of Amycolatopsis cytochrome P450 GcoA in complex with vanillin.

Released:
DOI: 10.2210/pdb5omr/pdb
PDB 5omr coloured by chain and viewed from the front.
PDB 5omr coloured by chain and viewed from the side.
PDB 5omr coloured by chain and viewed from the top.
Source organism: Amycolatopsis sp. ATCC 39116
Primary publication:
A promiscuous cytochrome P450 aromatic O-demethylase for lignin bioconversion.
Mallinson SJB, Machovina MM, Silveira RL, Garcia-Borràs M, Gallup N, Johnson CW, Allen MD, Skaf MS, Crowley MF, Neidle EL, Houk KN, Beckham GT, DuBois JL, McGeehan JE
Nat Commun 9 2487 (2018)
PMID: 29950589

Function and Biology Details

Biochemical function:
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
GcoA Chain: A
Molecule details ›
Chain: A
Length: 409 amino acids
Theoretical weight: 45.45 KDa
Source organism: Amycolatopsis sp. ATCC 39116
Expression system: Escherichia coli
UniProt:
  • Canonical: A0A3B6UEE9 (Residues: 1-409; Coverage: 100%)
Sequence domains: Cytochrome P450

Ligands and Environments

2 bound ligands:
Ligand HEM 1 x HEM
Ligand V55 1 x V55
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I03
Spacegroup: P43212
Unit cell:
a: 104.11Å b: 104.11Å c: 115.66Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.148 0.147 0.17
Expression system: Escherichia coli

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Citations

4 review citations

A Unique P450 Peroxygenase System Facilitated by a Dual-Functional Small Molecule: Concept, Application, and Perspective.
Di et al. (2022)
3 more