› 4des

X-ray diffraction
1.75Å resolution

Crystal Structure of the Wild Type TTR Binding Chrysin (TTRwt:CHR)

Released:
DOI: 10.2210/pdb4des/pdb
PDB entry 4des coloured by chain, front view.
PDB entry 4des coloured by chain, side view.
PDB entry 4des coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Flavonoid interactions with human transthyretin: combined structural and thermodynamic analysis.
Trivella DB, dos Reis CV, Lima LM, Foguel D, Polikarpov I
J Struct Biol 180 143-53 (2012)
PMID: 22842046

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: 116 amino acids
Theoretical weight: 12.7 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P02766 (Residues: 30-145; Coverage: 91%)
Gene names: PALB, TTR
Sequence domains: HIUase/Transthyretin family
Structure domains: Transthyretin/hydroxyisourate hydrolase domain

Ligands and Environments

1 bound ligand:
Ligand 57D 2 x 57D
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: LNLS BEAMLINE W01B-MX2
Spacegroup: P21212
Unit cell:
a: 42.476Å b: 83.286Å c: 62.54Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.197 0.195 0.226
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

4 review citations

Polyphenolic Compounds and Digestive Enzymes: In Vitro Non-Covalent Interactions.
Martinez-Gonzalez et al. (2017)
3 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