› 6h1a

X-ray diffraction
1.75Å resolution

Crystal structure of VX surrogate NEMP inhibited recombinant human bile salt activated lipase

Released:
DOI: 10.2210/pdb6h1a/pdb
PDB entry 6h1a coloured by chain, front view.
PDB entry 6h1a coloured by chain, side view.
PDB entry 6h1a coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
X-ray structures of human bile-salt activated lipase conjugated to nerve agents surrogates.
Touvrey C, Courageux C, Guillon V, Terreux R, Nachon F, Brazzolotto X
Toxicology 411 15-23 (2019)
PMID: 30359675

Function and Biology Details

Reactions catalysed: 
A steryl ester + H(2)O = a sterol + a fatty acid
Triacylglycerol + H(2)O = diacylglycerol + a carboxylate
An acetic ester + H(2)O = an alcohol + acetate
Biochemical function:
  • not assigned
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-148760 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Bile salt-activated lipase Chain: A
Molecule details ›
Chain: A
Length: 547 amino acids
Theoretical weight: 60.85 KDa
Source organism: Homo sapiens
Expression system: Cricetulus griseus
UniProt:
  • Canonical: P19835 (Residues: 22-553; Coverage: 73%)
Gene names: BAL, CEL
Sequence domains: Carboxylesterase family
Structure domains: alpha/beta hydrolase

Ligands and Environments

2 bound ligands:
Ligand ZN 11 x ZN
Ligand ACT 7 x ACT
1 modified residue:
Ligand SVX 1 x SVX

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID23-1
Spacegroup: P212121
Unit cell:
a: 56.371Å b: 97.744Å c: 110.835Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.194 0.194 0.224
Expression system: Cricetulus griseus

Quick links

Citations

2 citation in other articles

Discovery of New Protein Targets of BPA Analogs and Derivatives Associated with Noncommunicable Diseases: A Virtual High-Throughput Screening.
Montes-Grajales et al. (2021)
1 more

1 mention without citation

1H NMR-Based Metabolomics Coupled With Molecular Docking Reveal the Anti-Diabetic Effects and Potential Active Components of Berberis vernae on Type 2 Diabetic Rats.
Li et al. (2020)