BMRB Entry 17178
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR17178
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Title: NMR relaxation studies of GdDTPA in human serum albumin solution
Deposition date: 2010-09-10 Original release date: 2012-06-06
Authors: Li, Xinyu; Li, Xiaojing; Zhang, Shanrong; Pei, Fengkui
Citation: Li, Xinyu; Li, Xiaojing; Zhang, Shanrong; Pei, Fengkui. "NMR relaxation studies of GdDTPA in human serum albumin solution" POLYHEDRON 18, 695-697 (1999).
Assembly members:
HSA, polymer, 609 residues, Formula weight is not available
DTPA, non-polymer, 393.35 Da.
Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens
Experimental source: Production method: obtained from a vendor
- binding constants
| Data type | Count |
| binding constants | 3 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | HSA | 1 |
| 2 | DTPA | 2 |
Entities:
Entity 1, HSA 609 residues - Formula weight is not available
| 1 | MET | LYS | TRP | VAL | THR | PHE | ILE | SER | LEU | LEU | ||||
| 2 | PHE | LEU | PHE | SER | SER | ALA | TYR | SER | ARG | GLY | ||||
| 3 | VAL | PHE | ARG | ARG | ASP | ALA | HIS | LYS | SER | GLU | ||||
| 4 | VAL | ALA | HIS | ARG | PHE | LYS | ASP | LEU | GLY | GLU | ||||
| 5 | GLU | ASN | PHE | LYS | ALA | LEU | VAL | LEU | ILE | ALA | ||||
| 6 | PHE | ALA | GLN | TYR | LEU | GLN | GLN | CYS | PRO | PHE | ||||
| 7 | GLU | ASP | HIS | VAL | LYS | LEU | VAL | ASN | GLU | VAL | ||||
| 8 | THR | GLU | PHE | ALA | LYS | THR | CYS | VAL | ALA | ASP | ||||
| 9 | GLU | SER | ALA | GLU | ASN | CYS | ASP | LYS | SER | LEU | ||||
| 10 | HIS | THR | LEU | PHE | GLY | ASP | LYS | LEU | CYS | THR | ||||
| 11 | VAL | ALA | THR | LEU | ARG | GLU | THR | TYR | GLY | GLU | ||||
| 12 | MET | ALA | ASP | CYS | CYS | ALA | LYS | GLN | GLU | PRO | ||||
| 13 | GLU | ARG | ASN | GLU | CYS | PHE | LEU | GLN | HIS | LYS | ||||
| 14 | ASP | ASP | ASN | PRO | ASN | LEU | PRO | ARG | LEU | VAL | ||||
| 15 | ARG | PRO | GLU | VAL | ASP | VAL | MET | CYS | THR | ALA | ||||
| 16 | PHE | HIS | ASP | ASN | GLU | GLU | THR | PHE | LEU | LYS | ||||
| 17 | LYS | TYR | LEU | TYR | GLU | ILE | ALA | ARG | ARG | HIS | ||||
| 18 | PRO | TYR | PHE | TYR | ALA | PRO | GLU | LEU | LEU | PHE | ||||
| 19 | PHE | ALA | LYS | ARG | TYR | LYS | ALA | ALA | PHE | THR | ||||
| 20 | GLU | CYS | CYS | GLN | ALA | ALA | ASP | LYS | ALA | ALA | ||||
| 21 | CYS | LEU | LEU | PRO | LYS | LEU | ASP | GLU | LEU | ARG | ||||
| 22 | ASP | GLU | GLY | LYS | ALA | SER | SER | ALA | LYS | GLN | ||||
| 23 | ARG | LEU | LYS | CYS | ALA | SER | LEU | GLN | LYS | PHE | ||||
| 24 | GLY | GLU | ARG | ALA | PHE | LYS | ALA | TRP | ALA | VAL | ||||
| 25 | ALA | ARG | LEU | SER | GLN | ARG | PHE | PRO | LYS | ALA | ||||
| 26 | GLU | PHE | ALA | GLU | VAL | SER | LYS | LEU | VAL | THR | ||||
| 27 | ASP | LEU | THR | LYS | VAL | HIS | THR | GLU | CYS | CYS | ||||
| 28 | HIS | GLY | ASP | LEU | LEU | GLU | CYS | ALA | ASP | ASP | ||||
| 29 | ARG | ALA | ASP | LEU | ALA | LYS | TYR | ILE | CYS | GLU | ||||
| 30 | ASN | GLN | ASP | SER | ILE | SER | SER | LYS | LEU | LYS | ||||
| 31 | GLU | CYS | CYS | GLU | LYS | PRO | LEU | LEU | GLU | LYS | ||||
| 32 | SER | HIS | CYS | ILE | ALA | GLU | VAL | GLU | ASN | ASP | ||||
| 33 | GLU | MET | PRO | ALA | ASP | LEU | PRO | SER | LEU | ALA | ||||
| 34 | ALA | ASP | PHE | VAL | GLU | SER | LYS | ASP | VAL | CYS | ||||
| 35 | LYS | ASN | TYR | ALA | GLU | ALA | LYS | ASP | VAL | PHE | ||||
| 36 | LEU | GLY | MET | PHE | LEU | TYR | GLU | TYR | ALA | ARG | ||||
| 37 | ARG | HIS | PRO | ASP | TYR | SER | VAL | VAL | LEU | LEU | ||||
| 38 | LEU | ARG | LEU | ALA | LYS | THR | TYR | GLU | THR | THR | ||||
| 39 | LEU | GLU | LYS | CYS | CYS | ALA | ALA | ALA | ASP | PRO | ||||
| 40 | HIS | GLU | CYS | TYR | ALA | LYS | VAL | PHE | ASP | GLU | ||||
| 41 | PHE | LYS | PRO | LEU | VAL | GLU | GLU | PRO | GLN | ASN | ||||
| 42 | LEU | ILE | LYS | GLN | ASN | CYS | GLU | LEU | PHE | GLU | ||||
| 43 | GLN | LEU | GLY | GLU | TYR | LYS | PHE | GLN | ASN | ALA | ||||
| 44 | LEU | LEU | VAL | ARG | TYR | THR | LYS | LYS | VAL | PRO | ||||
| 45 | GLN | VAL | SER | THR | PRO | THR | LEU | VAL | GLU | VAL | ||||
| 46 | SER | ARG | ASN | LEU | GLY | LYS | VAL | GLY | SER | LYS | ||||
| 47 | CYS | CYS | LYS | HIS | PRO | GLU | ALA | LYS | ARG | MET | ||||
| 48 | PRO | CYS | ALA | GLU | ASP | TYR | LEU | SER | VAL | VAL | ||||
| 49 | LEU | ASN | GLN | LEU | CYS | VAL | LEU | HIS | GLU | LYS | ||||
| 50 | THR | PRO | VAL | SER | ASP | ARG | VAL | THR | LYS | CYS | ||||
| 51 | CYS | THR | GLU | SER | LEU | VAL | ASN | ARG | ARG | PRO | ||||
| 52 | CYS | PHE | SER | ALA | LEU | GLU | VAL | ASP | GLU | THR | ||||
| 53 | TYR | VAL | PRO | LYS | GLU | PHE | ASN | ALA | GLU | THR | ||||
| 54 | PHE | THR | PHE | HIS | ALA | ASP | ILE | CYS | THR | LEU | ||||
| 55 | SER | GLU | LYS | GLU | ARG | GLN | ILE | LYS | LYS | GLN | ||||
| 56 | THR | ALA | LEU | VAL | GLU | LEU | VAL | LYS | HIS | LYS | ||||
| 57 | PRO | LYS | ALA | THR | LYS | GLU | GLN | LEU | LYS | ALA | ||||
| 58 | VAL | MET | ASP | ASP | PHE | ALA | ALA | PHE | VAL | GLU | ||||
| 59 | LYS | CYS | CYS | LYS | ALA | ASP | ASP | LYS | GLU | THR | ||||
| 60 | CYS | PHE | ALA | GLU | GLU | GLY | LYS | LYS | LEU | VAL | ||||
| 61 | ALA | ALA | SER | GLN | ALA | ALA | LEU | GLY | LEU |
Entity 2, DTPA - C14H23N3O10 - 393.35 Da.
| 1 | DTPA |
Samples:
sample_1: HSA 0.726 mM; DTPA0 – 5 mM; H2O 100%
sample_conditions_1: pH: 7.0; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| NMR Relaxation | sample_1 | isotropic | sample_conditions_1 |
Software:
software -
NMR spectrometers:
- Varian Unity 400 MHz