› 6hqk

X-ray diffraction
1.57Å resolution

Crystal structure of GcoA F169A bound to guaiacol

Released:
DOI: 10.2210/pdb6hqk/pdb
PDB entry 6hqk coloured by chain, front view.
PDB entry 6hqk coloured by chain, side view.
PDB entry 6hqk coloured by chain, top view.
Source organism: Amycolatopsis sp. ATCC 39116
Primary publication:
Enabling microbial syringol conversion through structure-guided protein engineering.
Machovina MM, Mallinson SJB, Knott BC, Meyers AW, Garcia-Borràs M, Bu L, Gado JE, Oliver A, Schmidt GP, Hinchen DJ, Crowley MF, Johnson CW, Neidle EL, Payne CM, Houk KN, Beckham GT, McGeehan JE, DuBois JL
Proc Natl Acad Sci U S A 116 13970-13976 (2019)
PMID: 31235604

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-144103 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Aromatic O-demethylase, cytochrome P450 subunit Chain: A
Molecule details ›
Chain: A
Length: 407 amino acids
Theoretical weight: 45.22 KDa
Source organism: Amycolatopsis sp. ATCC 39116
Expression system: Escherichia coli
UniProt:
  • Canonical: P0DPQ7 (Residues: 1-407; Coverage: 100%)
Gene name: gcoA
Sequence domains: Cytochrome P450

Ligands and Environments

2 bound ligands:
Ligand HEM 1 x HEM
Ligand JZ3 1 x JZ3
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I04
Spacegroup: P43212
Unit cell:
a: 103.654Å b: 103.654Å c: 114.958Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.159 0.158 0.181
Expression system: Escherichia coli

Quick links

Citations

1 review citation

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

1 mention without citation

Enabling microbial syringol conversion through structure-guided protein engineering.
Machovina et al. (2019)