BMRB Entry 15854
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR15854
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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
Deposition date: 2008-07-03 Original release date: 2008-11-17
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
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 810 |
| 13C chemical shifts | 531 |
| 15N chemical shifts | 124 |