› 5m8z

X-ray diffraction
1.66Å resolution

PCE reductive dehalogenase from S. multivorans in complex with 2,3-difluorophenol

Released:
DOI: 10.2210/pdb5m8z/pdb
PDB 5m8z coloured by chain and viewed from the front.
PDB 5m8z coloured by chain and viewed from the side.
PDB 5m8z coloured by chain and viewed from the top.
Source organism: Sulfurospirillum multivorans DSM 12446
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
OpenAccess logo Nat Commun 8 15858 (2017)
PMID: 28671181

Function and Biology Details

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

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Tetrachloroethene reductive dehalogenase catalytic subunit PceA Chains: A, B
Molecule details ›
Chains: A, B
Length: 464 amino acids
Theoretical weight: 52.16 KDa
Source organism: Sulfurospirillum multivorans DSM 12446

Ligands and Environments

5 bound ligands:
Ligand SF4 4 x SF4
Ligand BVQ 2 x BVQ
Ligand BEN 3 x BEN
Ligand GOL 9 x GOL
Ligand ZTN 2 x ZTN
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: BESSY BEAMLINE 14.1
Spacegroup: P41
Unit cell:
a: 73.579Å b: 73.579Å c: 184.962Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.139 0.138 0.161

Quick links

Citations

2 review citations

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