BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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BMRB Entry 15854

Title: NMR solution structure of the supramolecular adduct between a liver cytosolic bile acid binding protein and a bile acid-based Gd(III)-chelate   PubMed: 18939814

Authors: Tomaselli, Simona; Zanzoni, Serena; Ragona, Laura; Gianolio, Eliana; Aime, Silvio; Assfalg, Michael; Molinari, Henriette

Citation: Tomaselli, Simona; Zanzoni, Serena; Ragona, Laura; Gianolio, Eliana; Aime, Silvio; Assfalg, Michael; Molinari, Henriette. "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"  J. Med. Chem. 51, 6782-6792 (2008).

Assembly members:
Gd(III)-chelate, polymer, 125 residues, 14100.300 Da.
(3alpha,5alpha,8alpha)-3-[(N,N-bis{2-[bis(carboxymethyl)amino]ethyl}-L-gamma-glutamyl)amino]cholan-24-oic acid, non-polymer, 822.982 Da.

Natural source:   Common Name: Chicken   Taxonomy ID: 9031   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Gallus gallus

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli

Entity Sequences (FASTA):
Gd(III)-chelate: AFSGTWQVYAQENYEEFLKA LALPEDLIKMARDIKPIVEI QQKGDDFVVTSKTPRQTVTN SFTLGKEADITTMDGKKLKC TVHLANGKLVTKSEKFSHEQ EVKGNEMVETITFGGVTLIR RSKRV

Data sets:
Data typeCount
1H chemical shifts810
13C chemical shifts531
15N chemical shifts124

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