› 7bfo

X-ray diffraction
1.99Å resolution

Thermogutta terrifontis esterase 2 phosphonylated by VX

Released:
DOI: 10.2210/pdb7bfo/pdb
PDB entry 7bfo coloured by chain, front view.
PDB entry 7bfo coloured by chain, side view.
PDB entry 7bfo coloured by chain, top view.
Source organism: Thermogutta terrifontis
Primary publication:
A Thermophilic Bacterial Esterase for Scavenging Nerve Agents: A Kinetic, Biophysical and Structural Study.
Bzdrenga J, Trenet E, Chantegreil F, Bernal K, Nachon F, Brazzolotto X
Molecules 26 (2021)
PMID: 33513869

Function and Biology Details

Reaction catalysed: 
A carboxylic ester + H(2)O = an alcohol + a carboxylate
Biochemical function:
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domain:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-104013 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
BD-FAE-like domain-containing protein Chain: A
Molecule details ›
Chain: A
Length: 287 amino acids
Theoretical weight: 31.72 KDa
Source organism: Thermogutta terrifontis
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: A0A286RIX1 (Residues: 24-309; Coverage: 100%)
Gene name: THTE_3306
Sequence domains: BD-FAE

Ligands and Environments

1 bound ligand:
Ligand EOH 1 x EOH
1 modified residue:
Ligand SVX 1 x SVX

Experiments and Validation Details

Entry percentile scores
X-ray source: SOLEIL BEAMLINE PROXIMA 2
Spacegroup: P212121
Unit cell:
a: 53.7Å b: 67.84Å c: 75.76Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.162 0.16 0.198
Expression system: Escherichia coli BL21

Quick links

Citations

1 mention without citation

A Thermophilic Bacterial Esterase for Scavenging Nerve Agents: A Kinetic, Biophysical and Structural Study.
Bzdrenga et al. (2021)