BMRB Entry 51452
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR51452
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Title: 1H, 13C Chemical Shift Assignments for 13C Methionine Labeled ACKR3 in complex with VUN701 PubMed: 35857540
Deposition date: 2022-05-19 Original release date: 2022-08-08
Authors: Jenjak, Shawn; Peterson, Francis; Volkman, Brian; Kleist, Andrew
Citation: Kleist, Andrew; Jenjak, Shawn; Sente, Andrija; Laskowski, Lauren; Szpakowska, Martyna; Calkins, Maggie; Anderson, Emilie; McNally, Lisa; Heukers, Raimond; Bobkov, Vladimir; Peterson, Francis; Thomas, Monica; Chevigne, Andy; Smit, Martine; McCorvy, John; Babu, M Madan; Volkman, Brian. "Conformational selection guides beta-arrestin recruitment at a biased G protein-coupled receptor" Science 377, 222-228 (2022).
Assembly members:
entity_1, polymer, 361 residues, 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: Spodoptera frugiperda Vector: pFastBac
- 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 | ACKR3-VUN701 | 1 |
Entities:
Entity 1, ACKR3-VUN701 361 residues - Formula weight is not available
| 1 | ASP | LEU | HIS | LEU | PHE | ASP | TYR | SER | GLU | PRO | ||||
| 2 | GLY | ASN | PHE | SER | ASP | ILE | SER | TRP | PRO | CYS | ||||
| 3 | ASN | SER | SER | ASP | CYS | ILE | VAL | VAL | ASP | THR | ||||
| 4 | VAL | MET | CYS | PRO | ASN | MET | PRO | ASN | LYS | SER | ||||
| 5 | VAL | LEU | LEU | TYR | THR | LEU | SER | PHE | ILE | TYR | ||||
| 6 | ILE | PHE | ILE | PHE | VAL | ILE | GLY | MET | ILE | ALA | ||||
| 7 | ASN | SER | VAL | VAL | VAL | TRP | VAL | ASN | ILE | GLN | ||||
| 8 | ALA | LYS | THR | THR | GLY | TYR | ASP | THR | HIS | CYS | ||||
| 9 | TYR | ILE | LEU | ASN | LEU | ALA | ILE | ALA | ASP | LEU | ||||
| 10 | TRP | VAL | VAL | LEU | THR | ILE | PRO | VAL | TRP | VAL | ||||
| 11 | VAL | SER | LEU | VAL | GLN | HIS | ASN | GLN | TRP | PRO | ||||
| 12 | MET | GLY | GLU | LEU | THR | CYS | LYS | VAL | THR | HIS | ||||
| 13 | LEU | ILE | PHE | SER | ILE | ASN | LEU | PHE | GLY | SER | ||||
| 14 | ILE | PHE | PHE | LEU | THR | CYS | MET | SER | VAL | ASP | ||||
| 15 | ARG | TYR | LEU | SER | ILE | THR | TYR | PHE | THR | ASN | ||||
| 16 | THR | PRO | SER | SER | ARG | LYS | LYS | MET | VAL | ARG | ||||
| 17 | ARG | VAL | VAL | CYS | ILE | LEU | VAL | TRP | LEU | LEU | ||||
| 18 | ALA | PHE | CYS | VAL | SER | LEU | PRO | ASP | THR | TYR | ||||
| 19 | TYR | LEU | LYS | THR | VAL | THR | SER | ALA | SER | ASN | ||||
| 20 | ASN | GLU | THR | TYR | CYS | ARG | SER | PHE | TYR | PRO | ||||
| 21 | GLU | HIS | SER | ILE | LYS | GLU | TRP | LEU | ILE | GLY | ||||
| 22 | MET | GLU | LEU | VAL | SER | VAL | VAL | LEU | GLY | PHE | ||||
| 23 | ALA | VAL | PRO | PHE | SER | ILE | ILE | ALA | VAL | PHE | ||||
| 24 | TYR | PHE | LEU | LEU | ALA | ARG | ALA | ILE | SER | ALA | ||||
| 25 | SER | SER | ASP | GLN | GLU | LYS | HIS | SER | SER | ARG | ||||
| 26 | LYS | ILE | ILE | PHE | SER | TYR | VAL | VAL | VAL | PHE | ||||
| 27 | LEU | VAL | CYS | TRP | LEU | PRO | TYR | HIS | VAL | ALA | ||||
| 28 | VAL | LEU | LEU | ASP | ILE | PHE | SER | ILE | LEU | HIS | ||||
| 29 | TYR | ILE | PRO | PHE | THR | CYS | ARG | LEU | GLU | HIS | ||||
| 30 | ALA | LEU | PHE | THR | ALA | LEU | HIS | VAL | THR | GLN | ||||
| 31 | CYS | LEU | SER | LEU | VAL | HIS | CYS | CYS | VAL | ASN | ||||
| 32 | PRO | VAL | LEU | TYR | SER | PHE | ILE | ASN | ARG | ASN | ||||
| 33 | TYR | ARG | TYR | GLU | LEU | MET | LYS | ALA | PHE | ILE | ||||
| 34 | PHE | LYS | TYR | SER | ALA | LYS | THR | GLY | LEU | THR | ||||
| 35 | LYS | LEU | ILE | ASP | ALA | SER | ARG | VAL | SER | GLU | ||||
| 36 | THR | GLU | TYR | SER | ALA | LEU | GLU | GLN | SER | THR | ||||
| 37 | LYS |
Samples:
sample_1: entity_1, [13C MET], mM; HEPES 20 mM; sodium chloride 150 mM; MNG 0.025%; CHS 0.005%
sample_conditions_1: ionic strength: 161 mM; pH: 7.4; pressure: 1 atm; temperature: 310 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
Software:
TOPSPIN - collection
XEASY - data analysis
NMR spectrometers:
- Bruker AVANCE NEO 800 MHz