› 3cfq

X-ray diffraction
2.09Å resolution

Crystal structure of human wild-type transthyretin in complex with diclofenac

Released:
DOI: 10.2210/pdb3cfq/pdb
PDB entry 3cfq coloured by chain, front view.
PDB entry 3cfq coloured by chain, side view.
PDB entry 3cfq coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Identification of a novel ligand binding motif in the transthyretin channel.
Lima LM, Silva Vde A, Palmieri Lde C, Oliveira MC, Foguel D, Polikarpov I
Bioorg Med Chem 18 100-10 (2010)
PMID: 19954984

Function and Biology Details

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

Structure analysis Details

Assemblies composition:
homo tetramer
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-136167 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Transthyretin Chains: A, B
Molecule details ›
Chains: A, B
Length: 118 amino acids
Theoretical weight: 12.96 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P02766 (Residues: 30-147; Coverage: 93%)
Gene names: PALB, TTR
Sequence domains: HIUase/Transthyretin family
Structure domains: Transthyretin/hydroxyisourate hydrolase domain

Ligands and Environments

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

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU ULTRAX 18
Spacegroup: P21212
Unit cell:
a: 43.07Å b: 85.49Å c: 63.62Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.211 0.209 0.249
Expression system: Escherichia coli

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Citations

1 review citation

Boron in drug discovery: carboranes as unique pharmacophores in biologically active compounds.
Issa et al. (2011)
12 other articles