› 8ad8

X-ray diffraction
2.95Å resolution

Flavin-dependent tryptophan 6-halogenase Thal in complex with a D-Trp-Ser dipeptide

Released:
DOI: 10.2210/pdb8ad8/pdb
PDB entry 8ad8 coloured by chain, front view.
PDB entry 8ad8 coloured by chain, side view.
PDB entry 8ad8 coloured by chain, top view.
Source organism: Streptomyces albogriseolus
Primary publication:
Enzymatic Late-Stage Halogenation of Peptides.
Schnepel C, Moritzer AC, Gäfe S, Montua N, Minges H, Nieß A, Niemann HH, Sewald N
Chembiochem (2022)
PMID: 36259362

Function and Biology Details

Reaction catalysed: 
D-tryptophan + FADH(2) + chloride + O(2) + H(+) = 6-chloro-D-tryptophan + FAD + 2 H(2)O
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-106592 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Tryptophan 6-halogenase ThaL Chains: A, B
Molecule details ›
Chains: A, B
Length: 534 amino acids
Theoretical weight: 60.28 KDa
Source organism: Streptomyces albogriseolus
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: A1E280 (Residues: 2-531; Coverage: 100%)
Gene names: thaL, thdH
Sequence domains: Tryptophan halogenase

Ligands and Environments

3 bound ligands:
Ligand GOL 2 x GOL
Ligand LT0 1 x LT0
Ligand PO4 1 x PO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: BESSY BEAMLINE 14.2
Spacegroup: P64
Unit cell:
a: 137.2Å b: 137.2Å c: 143.8Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.195 0.192 0.25
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

1 review citation

Promiscuous Enzymes for Residue-Specific Peptide and Protein Late-Stage Functionalization.
Alexander et al. (2023)
2 other articles

1 mention without citation

Enzymatic Late-Stage Halogenation of Peptides.
Schnepel et al. (2023)