› 5nuk

X-ray diffraction
1.7Å resolution

Engineered beta-lactoglobulin: variant I56F-L39A-M107F in complex with chlorpromazine (LG-FAF-CLP)

Released:
DOI: 10.2210/pdb5nuk/pdb
PDB 5nuk coloured by chain and viewed from the front.
PDB 5nuk coloured by chain and viewed from the side.
PDB 5nuk coloured by chain and viewed from the top.
Source organism: Bos taurus
Primary publication:
The engineered β-lactoglobulin with complementarity to the chlorpromazine chiral conformers.
Loch JI, Bonarek P, Tworzydło M, Łazińska I, Szydłowska J, Lipowska J, Rzęsikowska K, Lewiński K
Int J Biol Macromol 114 85-96 (2018)
PMID: 29555509

Function and Biology Details

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

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Beta-lactoglobulin Chain: A
Molecule details ›
Chain: A
Length: 162 amino acids
Theoretical weight: 18.24 KDa
Source organism: Bos taurus
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P02754 (Residues: 17-178; Coverage: 100%)
Gene name: LGB
Sequence domains: Lipocalin / cytosolic fatty-acid binding protein family
Structure domains: Lipocalin

Ligands and Environments

5 bound ligands:
Ligand Z80 1 x Z80
Ligand SO4 1 x SO4
Ligand GOL 1 x GOL
Ligand PO4 1 x PO4
Ligand CL 1 x CL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: OXFORD DIFFRACTION NOVA
Spacegroup: P3221
Unit cell:
a: 53.16Å b: 53.16Å c: 112.619Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.22 0.215 0.269
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

1 citations in other articles

Docking and Molecular Dynamics Predictions of Pesticide Binding to the Calyx of Bovine β-Lactoglobulin.
Cortes-Hernandez et al. (2020)