BMRB Entry 17834
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR17834
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Title: Syrian hamster prion protein with thiamine PubMed: 21848803
Deposition date: 2011-08-05 Original release date: 2011-09-13
Authors: Perez-Pineiro, Rolando; Bjorndahl, Trent; Berjanskii, Mark; Hau, David; Li, Li; Huang, Alan; Lee, Rose; Gibbs, Ebrima; Ladner, Carol; Wei Dong, Ying; Abera, Ashenafi; Cashman, Neil; Wishart, David
Citation: Perez-Pineiro, Rolando; Bjorndahl, Trent; Berjanskii, Mark; Hau, David; Li, Li; Huang, Alan; Lee, Rose; Gibbs, Ebrima; Ladner, Carol; Dong, Ying Wei; Abera, Ashenafi; Cashman, Neil; Wishart, David. "The Prion Protein Binds Thiamine" FEBS J. 278, 4002-4014 (2011).
Assembly members:
shPrP, polymer, 104 residues, 12457.871 Da.
VB1, non-polymer, 349.403 Da.
Natural source: Common Name: Golden Hamster Taxonomy ID: 10036 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Mesocricetus auratus
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
shPrP: LGGYMLGSAMSRPMMHFGND
WEDRYYRENMNRYPNQVYYR
PVDQYNNQNNFVHDCVNITI
KQHTVTTTTKGENFTETDIK
IMERVVEQMCTTQYQKESQA
YYDG
- assigned_chemical_shifts
| Data type | Count |
| 15N chemical shifts | 101 |
| 1H chemical shifts | 183 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | shPrP | 1 |
| 2 | Thiamine | 2 |
Entities:
Entity 1, shPrP 104 residues - 12457.871 Da.
| 1 | LEU | GLY | GLY | TYR | MET | LEU | GLY | SER | ALA | MET | ||||
| 2 | SER | ARG | PRO | MET | MET | HIS | PHE | GLY | ASN | ASP | ||||
| 3 | TRP | GLU | ASP | ARG | TYR | TYR | ARG | GLU | ASN | MET | ||||
| 4 | ASN | ARG | TYR | PRO | ASN | GLN | VAL | TYR | TYR | ARG | ||||
| 5 | PRO | VAL | ASP | GLN | TYR | ASN | ASN | GLN | ASN | ASN | ||||
| 6 | PHE | VAL | HIS | ASP | CYS | VAL | ASN | ILE | THR | ILE | ||||
| 7 | LYS | GLN | HIS | THR | VAL | THR | THR | THR | THR | LYS | ||||
| 8 | GLY | GLU | ASN | PHE | THR | GLU | THR | ASP | ILE | LYS | ||||
| 9 | ILE | MET | GLU | ARG | VAL | VAL | GLU | GLN | MET | CYS | ||||
| 10 | THR | THR | GLN | TYR | GLN | LYS | GLU | SER | GLN | ALA | ||||
| 11 | TYR | TYR | ASP | GLY |
Entity 2, Thiamine - C13 H23 N3 O6 S - 349.403 Da.
| 1 | VB1 |
Samples:
sample_1: shPrP, [U-100% 15N], 0.3 mM; thiamine 10 mM; KH2PO4 20 mM; H2O 90%; D2O 10%
sample_2: shPrP 0.5 mM; thiamine 12.5 mM; H2O 90%; D2O 10%
sample_3: shPrP 0.5 mM; thiamine 10 mM; H2O 90%; D2O 10%
sample_conditions_1: ionic strength: 0.02 M; pH: 6.2; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 1D STD-TOCSY | sample_2 | isotropic | sample_conditions_1 |
| 2D NOESY | sample_3 | isotropic | sample_conditions_1 |
Software:
NMRDraw v3.0, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
VNMRJ, Varian - collection
NMRView, Johnson, One Moon Scientific - chemical shift assignment, data analysis, peak picking
X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - refinement, structure solution
NMR spectrometers:
- Varian INOVA 500 MHz
- Varian INOVA 800 MHz
Related Database Links:
| BMRB | 17034 4307 |
| PDB | |
| GB | AAA37090 AAA37091 AAA37092 AAA37093 AAB25731 |
| REF | XP_005068717 XP_012967855 |
| SP | P04273 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts