BMRB Entry 51736
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR51736
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Title: SR142948A bound enNTS1DM4 PubMed: 36680775
Deposition date: 2022-12-13 Original release date: 2022-12-30
Authors: Bumbak, Fabian; Ziarek, Joshua; Robson, Scott; Wu, Hongwei
Citation: Bumbak, Fabian; Pons, Miquel; Inoue, Asuka; Paniagua, Juan Carlos; Yan, Fei; Wu, Hongwei; Robson, Scott; Bathgate, Ross; Scott, Daniel; Gooley, Paul; Ziarek, Joshua. "Ligands selectively tune the local and global motions of neurotensin receptor 1 (NTS1)" Cell Rep. 42, 112015-112015 (2023).
Assembly members:
entity_1, polymer, 404 residues, 44889.10 Da.
entity_2, non-polymer, 685.85 Da.
Natural source: Common Name: Rat Taxonomy ID: 10116 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Rattus norvegicus
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pDS170
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 5 |
| 1H chemical shifts | 15 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | enNTS1DM4 | 1 |
| 2 | SR142948A | 2 |
Entities:
Entity 1, enNTS1DM4 404 residues - 44889.10 Da.
Thermostabilized rat neurotensin receptor 1 variant starts with the first T (T43) and ends with T416 (truncated). The protein contains a C-terminal Avi-tag and remnants of a 3C-protease cleavage tag (ASGLNDIFEAQKIEWHEGSGLEVLFQ). The N-terminal four residues (GPGS) are remnants of a 3C-protease cleavage site and a short, flexible GS sequence.
| 1 | GLY | PRO | GLY | SER | THR | SER | GLU | SER | ASP | THR | ||||
| 2 | ALA | GLY | PRO | ASN | SER | ASP | LEU | ASP | VAL | ASN | ||||
| 3 | THR | ASP | ILE | TYR | SER | LYS | VAL | LEU | VAL | THR | ||||
| 4 | ALA | ILE | TYR | LEU | ALA | LEU | PHE | VAL | VAL | GLY | ||||
| 5 | THR | VAL | GLY | ASN | GLY | VAL | THR | LEU | PHE | THR | ||||
| 6 | LEU | ALA | ARG | LYS | LYS | SER | LEU | GLN | SER | LEU | ||||
| 7 | GLN | SER | ARG | VAL | ASP | TYR | TYR | LEU | GLY | SER | ||||
| 8 | LEU | ALA | LEU | SER | SER | LEU | LEU | ILE | LEU | LEU | ||||
| 9 | PHE | ALA | LEU | PRO | VAL | ASP | VAL | TYR | ASN | PHE | ||||
| 10 | ILE | TRP | VAL | HIS | HIS | PRO | TRP | ALA | PHE | GLY | ||||
| 11 | ASP | ALA | GLY | CYS | LYS | GLY | TYR | TYR | PHE | LEU | ||||
| 12 | ARG | GLU | ALA | CYS | THR | TYR | ALA | THR | ALA | LEU | ||||
| 13 | ASN | VAL | VAL | SER | LEU | SER | VAL | GLU | ARG | TYR | ||||
| 14 | LEU | ALA | ILE | CYS | HIS | PRO | PHE | LYS | ALA | LYS | ||||
| 15 | THR | LEU | LEU | SER | ARG | SER | ARG | THR | LYS | LYS | ||||
| 16 | PHE | ILE | SER | ALA | ILE | TRP | LEU | ALA | SER | ALA | ||||
| 17 | LEU | LEU | SER | LEU | PRO | MET | LEU | PHE | THR | MET | ||||
| 18 | GLY | LEU | GLN | ASN | LEU | SER | GLY | ASP | GLY | THR | ||||
| 19 | HIS | PRO | GLY | GLY | LEU | VAL | CYS | THR | PRO | ILE | ||||
| 20 | VAL | ASP | THR | ALA | THR | LEU | ARG | VAL | VAL | ILE | ||||
| 21 | GLN | LEU | ASN | THR | PHE | MET | SER | PHE | LEU | PHE | ||||
| 22 | PRO | MET | LEU | VAL | ALA | SER | ILE | LEU | ASN | THR | ||||
| 23 | VAL | ILE | ALA | ARG | ARG | LEU | THR | VAL | LEU | VAL | ||||
| 24 | HIS | GLN | ALA | ALA | GLU | GLN | ALA | ARG | VAL | SER | ||||
| 25 | THR | VAL | GLY | THR | HIS | ASN | GLY | LEU | GLU | HIS | ||||
| 26 | SER | THR | PHE | ASN | VAL | THR | ILE | GLU | PRO | GLY | ||||
| 27 | ARG | VAL | GLN | ALA | LEU | ARG | ARG | GLY | VAL | LEU | ||||
| 28 | VAL | LEU | ARG | ALA | VAL | VAL | ILE | ALA | PHE | VAL | ||||
| 29 | VAL | CYS | TRP | LEU | PRO | TYR | HIS | VAL | ARG | ARG | ||||
| 30 | LEU | MET | PHE | VAL | TYR | ILE | SER | ASP | GLU | GLN | ||||
| 31 | TRP | THR | THR | ALA | LEU | PHE | ASP | PHE | TYR | HIS | ||||
| 32 | TYR | PHE | TYR | MET | LEU | SER | ASN | ALA | LEU | VAL | ||||
| 33 | TYR | VAL | SER | ALA | ALA | ILE | ASN | PRO | ILE | LEU | ||||
| 34 | TYR | ASN | LEU | VAL | SER | ALA | ASN | PHE | ARG | GLN | ||||
| 35 | VAL | PHE | LEU | SER | THR | LEU | ALA | SER | LEU | SER | ||||
| 36 | PRO | GLY | TRP | ARG | HIS | ARG | ARG | LYS | LYS | ARG | ||||
| 37 | PRO | THR | PHE | SER | ARG | LYS | PRO | ASN | SER | VAL | ||||
| 38 | SER | SER | ASN | HIS | ALA | PHE | SER | THR | ALA | SER | ||||
| 39 | GLY | LEU | ASN | ASP | ILE | PHE | GLU | ALA | GLN | LYS | ||||
| 40 | ILE | GLU | TRP | HIS | GLU | GLY | SER | GLY | LEU | GLU | ||||
| 41 | VAL | LEU | PHE | GLN |
Entity 2, SR142948A - C39H51N5O6 - 685.85 Da.
Samples:
sample_1: enNTS1DM4, 13CH3-methionine, 66 uM; Potassium phosphate 50 mM; NaCl 100 mM; DSS 20 uM; DDM 0.05%; SR142948A 500 uM
sample_conditions_1: ionic strength: 150 mM; pH: 7.4; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-13C HMQC | sample_1 | isotropic | sample_conditions_1 |
Software:
SPARKY - chemical shift assignment, data analysis
TOPSPIN - data collection
qMDD - processing
NMR spectrometers:
- Bruker AVANCE NEO 600 MHz