BMRB Entry 16751
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR16751
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Title: NMR diffusion and relaxation study of drug-protein interaction PubMed: 10474906
Deposition date: 2010-03-03 Original release date: 2010-03-24
Authors: Luo, Ren-Sheng; Liu, Mai-Li; Mao, Xi-An
Citation: Luo, Ren-Sheng; Liu, Mai-Li; Mao, Xi-An. "NMR diffusion and relaxation study of drug-protein interaction" Spectrochimica acta 55, 1897-1901 (1999).
Assembly members:
HSA, polymer, 585 residues, Formula weight is not available
SAL, non-polymer, 138.121 Da.
Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens
Experimental source: Production method: purified from the natural source
Additional metadata:
Assembly:
Entity Assembly ID | Entity Name | Entity ID |
---|---|---|
1 | HSA | 1 |
2 | salicylate | 2 |
Entities:
Entity 1, HSA 585 residues - Formula weight is not available
1 | ASP | ALA | HIS | LYS | SER | GLU | VAL | ALA | HIS | ARG | ||||
2 | PHE | LYS | ASP | LEU | GLY | GLU | GLU | ASN | PHE | LYS | ||||
3 | ALA | LEU | VAL | LEU | ILE | ALA | PHE | ALA | GLN | TYR | ||||
4 | LEU | GLN | GLN | CYS | PRO | PHE | GLU | ASP | HIS | VAL | ||||
5 | LYS | LEU | VAL | ASN | GLU | VAL | THR | GLU | PHE | ALA | ||||
6 | LYS | THR | CYS | VAL | ALA | ASP | GLU | SER | ALA | GLU | ||||
7 | ASN | CYS | ASP | LYS | SER | LEU | HIS | THR | LEU | PHE | ||||
8 | GLY | ASP | LYS | LEU | CYS | THR | VAL | ALA | THR | LEU | ||||
9 | ARG | GLU | THR | TYR | GLY | GLU | MET | ALA | ASP | CYS | ||||
10 | CYS | ALA | LYS | GLN | GLU | PRO | GLU | ARG | ASN | GLU | ||||
11 | CYS | PHE | LEU | GLN | HIS | LYS | ASP | ASP | ASN | PRO | ||||
12 | ASN | LEU | PRO | ARG | LEU | VAL | ARG | PRO | GLU | VAL | ||||
13 | ASP | VAL | MET | CYS | THR | ALA | PHE | HIS | ASP | ASN | ||||
14 | GLU | GLU | THR | PHE | LEU | LYS | LYS | TYR | LEU | TYR | ||||
15 | GLU | ILE | ALA | ARG | ARG | HIS | PRO | TYR | PHE | TYR | ||||
16 | ALA | PRO | GLU | LEU | LEU | PHE | PHE | ALA | LYS | ARG | ||||
17 | TYR | LYS | ALA | ALA | PHE | THR | GLU | CYS | CYS | GLN | ||||
18 | ALA | ALA | ASP | LYS | ALA | ALA | CYS | LEU | LEU | PRO | ||||
19 | LYS | LEU | ASP | GLU | LEU | ARG | ASP | GLU | GLY | LYS | ||||
20 | ALA | SER | SER | ALA | LYS | GLN | ARG | LEU | LYS | CYS | ||||
21 | ALA | SER | LEU | GLN | LYS | PHE | GLY | GLU | ARG | ALA | ||||
22 | PHE | LYS | ALA | TRP | ALA | VAL | ALA | ARG | LEU | SER | ||||
23 | GLN | ARG | PHE | PRO | LYS | ALA | GLU | PHE | ALA | GLU | ||||
24 | VAL | SER | LYS | LEU | VAL | THR | ASP | LEU | THR | LYS | ||||
25 | VAL | HIS | THR | GLU | CYS | CYS | HIS | GLY | ASP | LEU | ||||
26 | LEU | GLU | CYS | ALA | ASP | ASP | ARG | ALA | ASP | LEU | ||||
27 | ALA | LYS | TYR | ILE | CYS | GLU | ASN | GLN | ASP | SER | ||||
28 | ILE | SER | SER | LYS | LEU | LYS | GLU | CYS | CYS | GLU | ||||
29 | LYS | PRO | LEU | LEU | GLU | LYS | SER | HIS | CYS | ILE | ||||
30 | ALA | GLU | VAL | GLU | ASN | ASP | GLU | MET | PRO | ALA | ||||
31 | ASP | LEU | PRO | SER | LEU | ALA | ALA | ASP | PHE | VAL | ||||
32 | GLU | SER | LYS | ASP | VAL | CYS | LYS | ASN | TYR | ALA | ||||
33 | GLU | ALA | LYS | ASP | VAL | PHE | LEU | GLY | MET | PHE | ||||
34 | LEU | TYR | GLU | TYR | ALA | ARG | ARG | HIS | PRO | ASP | ||||
35 | TYR | SER | VAL | VAL | LEU | LEU | LEU | ARG | LEU | ALA | ||||
36 | LYS | THR | TYR | GLU | THR | THR | LEU | GLU | LYS | CYS | ||||
37 | CYS | ALA | ALA | ALA | ASP | PRO | HIS | GLU | CYS | TYR | ||||
38 | ALA | LYS | VAL | PHE | ASP | GLU | PHE | LYS | PRO | LEU | ||||
39 | VAL | GLU | GLU | PRO | GLN | ASN | LEU | ILE | LYS | GLN | ||||
40 | ASN | CYS | GLU | LEU | PHE | GLU | GLN | LEU | GLY | GLU | ||||
41 | TYR | LYS | PHE | GLN | ASN | ALA | LEU | LEU | VAL | ARG | ||||
42 | TYR | THR | LYS | LYS | VAL | PRO | GLN | VAL | SER | THR | ||||
43 | PRO | THR | LEU | VAL | GLU | VAL | SER | ARG | ASN | LEU | ||||
44 | GLY | LYS | VAL | GLY | SER | LYS | CYS | CYS | LYS | HIS | ||||
45 | PRO | GLU | ALA | LYS | ARG | MET | PRO | CYS | ALA | GLU | ||||
46 | ASP | TYR | LEU | SER | VAL | VAL | LEU | ASN | GLN | LEU | ||||
47 | CYS | VAL | LEU | HIS | GLU | LYS | THR | PRO | VAL | SER | ||||
48 | ASP | ARG | VAL | THR | LYS | CYS | CYS | THR | GLU | SER | ||||
49 | LEU | VAL | ASN | ARG | ARG | PRO | CYS | PHE | SER | ALA | ||||
50 | LEU | GLU | VAL | ASP | GLU | THR | TYR | VAL | PRO | LYS | ||||
51 | GLU | PHE | ASN | ALA | GLU | THR | PHE | THR | PHE | HIS | ||||
52 | ALA | ASP | ILE | CYS | THR | LEU | SER | GLU | LYS | GLU | ||||
53 | GLU | GLN | ILE | LYS | LYS | GLN | THR | ALA | LEU | VAL | ||||
54 | GLU | LEU | VAL | LYS | HIS | LYS | PRO | LYS | ALA | THR | ||||
55 | LYS | GLU | GLN | LEU | LYS | ALA | VAL | MET | ASP | ASP | ||||
56 | PHE | ALA | ALA | PHE | VAL | GLU | LYS | CYS | CYS | LYS | ||||
57 | ALA | ASP | ASP | LYS | GLU | THR | CYS | PHE | ALA | GLU | ||||
58 | GLU | GLY | LYS | LYS | LEU | VAL | ALA | ALA | SER | GLN | ||||
59 | ALA | ALA | LEU | GLY | LEU |
Entity 2, salicylate - C7 H6 O3 - 138.121 Da.
1 | SAL |
Samples:
sample_1: HSA 1 mM; salicylate 0.0105 mM; NaH2PO4 0.2 M; DMF 0.2 M; H2O 90%; D2O 10%
sample_2: HSA 1 mM; salicylate 0.0118 mM; NaH2PO4 0.2 M; DMF 0.2 M; H2O 90%; D2O 10%
sample_3: HSA 1 mM; salicylate 0.0133 mM; NaH2PO4 0.2 M; Na2HPO4 0.2 M; DMF 0.2 M; H2O 90%; D2O 10%
sample_4: HSA 1 mM; salicylate 0.0146 mM; NaH2PO4 0.2 M; DMF 0.2 M; H2O 90%; D2O 10%
sample_5: HSA 1 mM; salicylate 0.0163 mM; Na2HPO4 0.2 M; DMF 0.2 M; H2O 90%; D2O 10%
sample_6: HSA 1 mM; salicylate 0.0222 mM; NaH2PO4 0.2 M; DMF 0.2 M; H2O 90%; D2O 10%
sample_conditions_1: pH: 7.4; pressure: 1 atm; temperature: 298 K
Experiments:
Name | Sample | Sample state | Sample conditions |
---|---|---|---|
NMR diffusion | sample_1 | isotropic | sample_conditions_1 |
NMR relaxation | sample_1 | isotropic | sample_conditions_1 |
NMR diffusion | sample_2 | isotropic | sample_conditions_1 |
NMR relaxation | sample_2 | isotropic | sample_conditions_1 |
NMR diffusion | sample_3 | isotropic | sample_conditions_1 |
NMR relaxation | sample_3 | isotropic | sample_conditions_1 |
NMR diffusion | sample_4 | isotropic | sample_conditions_1 |
NMR relaxation | sample_4 | isotropic | sample_conditions_1 |
NMR diffusion | sample_5 | isotropic | sample_conditions_1 |
NMR relaxation | sample_5 | isotropic | sample_conditions_1 |
NMR diffusion | sample_6 | isotropic | sample_conditions_1 |
NMR relaxation | sample_6 | isotropic | sample_conditions_1 |
Software:
not_given, not given - not given
NMR spectrometers:
- Bruker ARX 500 MHz