› 5u4f

X-ray diffraction
1.5Å resolution

Wild-type Transthyretin in complex with 1,1'-(1E)-(1,2-Ethenediyl)bis[2-chloro-4-boronic acid]benzene

Released:
DOI: 10.2210/pdb5u4f/pdb
PDB entry 5u4f coloured by chain, front view.
PDB entry 5u4f coloured by chain, side view.
PDB entry 5u4f coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Stilbene Boronic Acids Form a Covalent Bond with Human Transthyretin and Inhibit Its Aggregation.
Smith TP, Windsor IW, Forest KT, Raines RT
J Med Chem 60 7820-7834 (2017)
PMID: 28920684

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-136168 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Transthyretin Chains: A, B
Molecule details ›
Chains: A, B
Length: 128 amino acids
Theoretical weight: 13.91 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P02766 (Residues: 21-147; Coverage: 100%)
Gene names: PALB, TTR
Sequence domains: HIUase/Transthyretin family

Ligands and Environments

1 bound ligand:
Ligand IWW 2 x IWW
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 21-ID-D
Spacegroup: P21212
Unit cell:
a: 42.92Å b: 85.223Å c: 63.942Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.194 0.193 0.22
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

3 review citations

The Boron Advantage: The Evolution and Diversification of Boron's Applications in Medicinal Chemistry.
Messner et al. (2022)
2 more

3 mentions without citation

Recent developments in the medicinal chemistry of single boron atom-containing compounds.
Song et al. (2021)
2 more