› 2k62

Solution NMR

NMR solution structure of the supramolecular adduct between a liver cytosolic bile acid binding protein and a bile acid-based Gd(III)-chelate

Released:
DOI: 10.2210/pdb2k62/pdb
PDB entry 2k62 coloured by chain, ensemble of 7 models, front view.
PDB entry 2k62 coloured by chain, ensemble of 7 models, side view.
PDB entry 2k62 coloured by chain, ensemble of 7 models, top view.
Source organism: Gallus gallus
Primary publication:
Solution structure of the supramolecular adduct between a liver cytosolic bile acid binding protein and a bile acid-based gadolinium(III)-chelate, a potential hepatospecific magnetic resonance imaging contrast agent.
Tomaselli S, Zanzoni S, Ragona L, Gianolio E, Aime S, Assfalg M, Molinari H
J Med Chem 51 6782-92 (2008)
PMID: 18939814

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-160367 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Fatty acid-binding protein, liver Chain: A
Molecule details ›
Chain: A
Length: 125 amino acids
Theoretical weight: 14.1 KDa
Source organism: Gallus gallus
Expression system: Escherichia coli
UniProt:
  • Canonical: P80226 (Residues: 2-126; Coverage: 99%)
Gene name: FABP1
Sequence domains: Lipocalin / cytosolic fatty-acid binding protein family
Structure domains: Lipocalin

Ligands and Environments

2 bound ligands:
Ligand YB 1 x YB
Ligand ITL 1 x ITL
No modified residues

Experiments and Validation Details

Entry percentile scores
Refinement method: simulated annealing
Expression system: Escherichia coli

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Citations

4 review citations

Macromolecules, dendrimers, and nanomaterials in magnetic resonance imaging: the interplay between size, function, and pharmacokinetics.
Villaraza et al. (2010)
3 more

2 mentions without citation

Bile acid binding protein: a versatile host of small hydrophobic ligands for applications in the fields of MRI contrast agents and bio-nanomaterials.
Pagano et al. (2013)
1 more