› 4pwg

X-ray diffraction
1.8Å resolution

Crystal structure of V30M mutant human transthyretin complexed with caffeic acid ethyl ester

Released:
DOI: 10.2210/pdb4pwg/pdb
PDB entry 4pwg coloured by chain, front view.
PDB entry 4pwg coloured by chain, side view.
PDB entry 4pwg coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Inhibitory activities of propolis and its promising component, caffeic acid phenethyl ester, against amyloidogenesis of human transthyretin.
Yokoyama T, Kosaka Y, Mizuguchi M
J Med Chem 57 8928-35 (2014)
PMID: 25314129

Function and Biology Details

Biochemical function:
  • not assigned
Biological process:
  • not assigned
Cellular component:
  • not assigned
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: 159 amino acids
Theoretical weight: 17.34 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P02766 (Residues: 1-147; Coverage: 100%)
Gene names: PALB, TTR
Sequence domains: HIUase/Transthyretin family
Structure domains: Transthyretin/hydroxyisourate hydrolase domain

Ligands and Environments

2 bound ligands:
Ligand 0XR 2 x 0XR
Ligand CA 1 x CA
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: PHOTON FACTORY BEAMLINE AR-NE3A
Spacegroup: P21212
Unit cell:
a: 43.19Å b: 85.541Å c: 63.771Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.192 0.189 0.243
Expression system: Escherichia coli

Quick links

Citations

6 review citations

The A-Z of Zika drug discovery.
Mottin et al. (2018)
5 more

2 mentions without citation

Natural compounds as inhibitors of transthyretin amyloidosis and neuroprotective agents: analysis of structural data for future drug design.
Ciccone et al. (2020)
1 more