› 6frl

X-ray diffraction
2.5Å resolution

BrvH, a flavin-dependent halogenase from Brevundimonas sp. BAL3

Released:
DOI: 10.2210/pdb6frl/pdb
PDB entry 6frl coloured by chain, front view.
PDB entry 6frl coloured by chain, side view.
PDB entry 6frl coloured by chain, top view.
Source organism: Brevundimonas sp. BAL3
Primary publication:
A flavin-dependent halogenase from metagenomic analysis prefers bromination over chlorination.
Neubauer PR, Widmann C, Wibberg D, Schröder L, Frese M, Kottke T, Kalinowski J, Niemann HH, Sewald N
PLoS One 13 e0196797 (2018)
PMID: 29746521

Function and Biology Details

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

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-110143 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Tryptophan halogenase superfamily Chains: A, B
Molecule details ›
Chains: A, B
Length: 511 amino acids
Theoretical weight: 56.48 KDa
Source organism: Brevundimonas sp. BAL3
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: B4WBL8 (Residues: 1-509; Coverage: 100%)
Gene name: BBAL3_2452
Sequence domains: Tryptophan halogenase
Structure domains: FAD/NAD(P)-binding domain

Ligands and Environments

3 bound ligands:
Ligand TLA 2 x TLA
Ligand MES 2 x MES
Ligand GOL 2 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE MASSIF-3
Spacegroup: C2
Unit cell:
a: 180.62Å b: 88.35Å c: 70.11Å
α: 90° β: 99.07° γ: 90°
R-values:
R R work R free
0.197 0.195 0.241
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

8 review citations

Enzymatic Late-Stage Modifications: Better Late Than Never.
Romero et al. (2021)
7 more

5 mentions without citation

Halogenases: a palette of emerging opportunities for synthetic biology-synthetic chemistry and C-H functionalisation.
Crowe et al. (2021)
4 more