BMRB Entry 51923
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR51923
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry
Citation: Baumann, Christian; Chiang, Wan-Chin; Valsecchi, Renato; Jurt, Simon; Deluigi, Mattia; Schuster, Matthias; Rosengren, Karl Johan; Pluckthun, Andreas; Zerbe, Oliver. "Side-Chain Dynamics of the a1B -Adrenergic Receptor determined by NMR via Methyl Relaxation" Protein Sci. 32, e4801-e4801 (2023).
PubMed: 37805830
Assembly members:
entity_1, polymer, 303 residues, Formula weight is not available
entity_2, non-polymer, Formula weight is not available
Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pRG
Entity Sequences (FASTA):
entity_1: GPGSSTLPQLDITRAISVGL
VLGAFILFAIVGNILVILSV
ACNRHLRTPTNYFIVNLAMA
DLLLCFTVLPFSAALEVLGY
WVLGRTFCDIWAAMDVLCCT
ASILSLCAISIDRYIGVRYY
LQYPTLVTRRKAILALLCVW
VLSTVISIGPLLVWKEPAPN
YDKVCGVTEEPFYALFSSLG
SFYIPLAVILVMYCRVYIVA
KRTTKNLEAKFSREKKAAKM
LGIVVGMFILCWLPFFIALP
LGSLFSTLKPPDAVFKVLLW
LGYFNSCLNPIIYLCFSKEF
KRAFVRILGCQCRGTRELEV
LFQ
- assigned_chemical_shifts
- order_parameters
| Data type | Count |
| 13C chemical shifts | 25 |
| 1H chemical shifts | 75 |
| order parameters | 22 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | a1B-AR-B1D1 | 1 |
| 2 | tamsulosin | 2 |
Entities:
Entity 1, a1B-AR-B1D1 303 residues - Formula weight is not available
| 1 | GLY | PRO | GLY | SER | SER | THR | LEU | PRO | GLN | LEU | ||||
| 2 | ASP | ILE | THR | ARG | ALA | ILE | SER | VAL | GLY | LEU | ||||
| 3 | VAL | LEU | GLY | ALA | PHE | ILE | LEU | PHE | ALA | ILE | ||||
| 4 | VAL | GLY | ASN | ILE | LEU | VAL | ILE | LEU | SER | VAL | ||||
| 5 | ALA | CYS | ASN | ARG | HIS | LEU | ARG | THR | PRO | THR | ||||
| 6 | ASN | TYR | PHE | ILE | VAL | ASN | LEU | ALA | MET | ALA | ||||
| 7 | ASP | LEU | LEU | LEU | CYS | PHE | THR | VAL | LEU | PRO | ||||
| 8 | PHE | SER | ALA | ALA | LEU | GLU | VAL | LEU | GLY | TYR | ||||
| 9 | TRP | VAL | LEU | GLY | ARG | THR | PHE | CYS | ASP | ILE | ||||
| 10 | TRP | ALA | ALA | MET | ASP | VAL | LEU | CYS | CYS | THR | ||||
| 11 | ALA | SER | ILE | LEU | SER | LEU | CYS | ALA | ILE | SER | ||||
| 12 | ILE | ASP | ARG | TYR | ILE | GLY | VAL | ARG | TYR | TYR | ||||
| 13 | LEU | GLN | TYR | PRO | THR | LEU | VAL | THR | ARG | ARG | ||||
| 14 | LYS | ALA | ILE | LEU | ALA | LEU | LEU | CYS | VAL | TRP | ||||
| 15 | VAL | LEU | SER | THR | VAL | ILE | SER | ILE | GLY | PRO | ||||
| 16 | LEU | LEU | VAL | TRP | LYS | GLU | PRO | ALA | PRO | ASN | ||||
| 17 | TYR | ASP | LYS | VAL | CYS | GLY | VAL | THR | GLU | GLU | ||||
| 18 | PRO | PHE | TYR | ALA | LEU | PHE | SER | SER | LEU | GLY | ||||
| 19 | SER | PHE | TYR | ILE | PRO | LEU | ALA | VAL | ILE | LEU | ||||
| 20 | VAL | MET | TYR | CYS | ARG | VAL | TYR | ILE | VAL | ALA | ||||
| 21 | LYS | ARG | THR | THR | LYS | ASN | LEU | GLU | ALA | LYS | ||||
| 22 | PHE | SER | ARG | GLU | LYS | LYS | ALA | ALA | LYS | MET | ||||
| 23 | LEU | GLY | ILE | VAL | VAL | GLY | MET | PHE | ILE | LEU | ||||
| 24 | CYS | TRP | LEU | PRO | PHE | PHE | ILE | ALA | LEU | PRO | ||||
| 25 | LEU | GLY | SER | LEU | PHE | SER | THR | LEU | LYS | PRO | ||||
| 26 | PRO | ASP | ALA | VAL | PHE | LYS | VAL | LEU | LEU | TRP | ||||
| 27 | LEU | GLY | TYR | PHE | ASN | SER | CYS | LEU | ASN | PRO | ||||
| 28 | ILE | ILE | TYR | LEU | CYS | PHE | SER | LYS | GLU | PHE | ||||
| 29 | LYS | ARG | ALA | PHE | VAL | ARG | ILE | LEU | GLY | CYS | ||||
| 30 | GLN | CYS | ARG | GLY | THR | ARG | GLU | LEU | GLU | VAL | ||||
| 31 | LEU | PHE | GLN |
Entity 2, tamsulosin - C20H28N2O5S - Formula weight is not available
Samples:
sample_1: a1B-adrenergic receptor B1D1, [U-15N; U-2H; 1HD,13CD-Ile,Leu; 1HG,13CG-Val], 250 uM; Tamsulosin 500 uM; sodium phosphate 20 mM; sodium chloride 20 mM; Lauryl Maltose Neopentyl Glycol 0.01%
sample_conditions_1: temperature: 320 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
| 1H multiple-quantum relaxation | sample_1 | isotropic | sample_conditions_1 |
Software:
TOPSPIN vv4.1.1 - collection, processing
CcpNMR vv2.5.1 - data analysis, peak picking
R vv4.0.3 - data analysis
NMR spectrometers:
- Bruker AVANCE NEO 700 MHz