› 5m2g

X-ray diffraction
1.8Å resolution

PCE reductive dehalogenase from S. multivorans in complex with 2,4,6-tribromophenol

Released:
DOI: 10.2210/pdb5m2g/pdb
PDB entry 5m2g coloured by chain, front view.
PDB entry 5m2g coloured by chain, side view.
PDB entry 5m2g coloured by chain, top view.
Source organism: Sulfurospirillum multivorans
Primary publication:
Cobamide-mediated enzymatic reductive dehalogenation via long-range electron transfer.
Kunze C, Bommer M, Hagen WR, Uksa M, Dobbek H, Schubert T, Diekert G
Nat Commun 8 15858 (2017)
PMID: 28671181

Function and Biology Details

Reaction catalysed: 
Trichloroethene + chloride + acceptor = tetrachloroethene + reduced acceptor
Biochemical function:
Biological process:
  • not assigned
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-130609 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Tetrachloroethene reductive dehalogenase Chains: A, B
Molecule details ›
Chains: A, B
Length: 464 amino acids
Theoretical weight: 52.16 KDa
Source organism: Sulfurospirillum multivorans
UniProt:
  • Canonical: O68252 (Residues: 38-501; Coverage: 100%)
Gene names: SMN_1516, pceA
Sequence domains:

Ligands and Environments

5 bound ligands:
Ligand SF4 4 x SF4
Ligand BVQ 2 x BVQ
Ligand BEN 2 x BEN
Ligand GOL 7 x GOL
Ligand TBP 2 x TBP
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: BESSY BEAMLINE 14.1
Spacegroup: P41
Unit cell:
a: 73.61Å b: 73.61Å c: 184.958Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.136 0.134 0.167

Quick links

Citations

4 review citations

Biocatalytic Reduction Reactions from a Chemist's Perspective.
Hollmann et al. (2021)
3 more

2 mentions without citation

Cobamide-mediated enzymatic reductive dehalogenation via long-range electron transfer.
Kunze et al. (2017)
1 more