BMRB Entry 52396
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR52396
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Title: PfMATE pH6.8 PubMed: 38815577
Deposition date: 2024-04-14 Original release date: 2024-07-22
Authors: Takeuchi, Koh; Imai, Misaki; Shimada, Ichio
Citation: Takeuchi, Koh; Ueda, Takumi; Imai, Misaki; Fujisaki, Miwa; Shimura, Mie; Tokunaga, Yuji; Kofuku, Yutaka; Shimada, Ichio. "Affinity-directed substrate/H+-antiport by a MATE transporter" Structure 32, 1150-1164 (2024).
Assembly members:
entity_1, polymer, 471 residues, Formula weight is not available
Natural source: Common Name: Pyrococcus furiosus Taxonomy ID: 2157 Superkingdom: Archaea Kingdom: not available Genus/species: Pyrococcus furiosus
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET11
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 49 |
| 1H chemical shifts | 147 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | PfMate1 | 1 |
Entities:
Entity 1, PfMate1 471 residues - Formula weight is not available
| 1 | MET | SER | GLU | LYS | THR | THR | LYS | GLY | VAL | GLN | ||||
| 2 | LEU | LEU | ARG | GLY | ASP | PRO | LYS | LYS | ALA | ILE | ||||
| 3 | VAL | ARG | LEU | SER | ILE | PRO | MET | MET | ILE | GLY | ||||
| 4 | MET | SER | VAL | GLN | THR | LEU | TYR | ASN | LEU | ALA | ||||
| 5 | ASP | GLY | ILE | TRP | VAL | SER | GLY | LEU | GLY | PRO | ||||
| 6 | GLU | SER | LEU | ALA | ALA | VAL | GLY | LEU | PHE | PHE | ||||
| 7 | PRO | VAL | PHE | MET | GLY | ILE | ILE | ALA | LEU | ALA | ||||
| 8 | ALA | GLY | LEU | GLY | VAL | GLY | THR | SER | SER | ALA | ||||
| 9 | ILE | ALA | ARG | ARG | ILE | GLY | ALA | ARG | ASP | LYS | ||||
| 10 | GLU | GLY | ALA | ASP | ASN | VAL | ALA | VAL | HIS | SER | ||||
| 11 | LEU | ILE | LEU | SER | LEU | ILE | LEU | GLY | VAL | THR | ||||
| 12 | ILE | THR | ILE | THR | MET | LEU | PRO | ALA | ILE | ASP | ||||
| 13 | SER | LEU | PHE | ARG | SER | MET | GLY | ALA | LYS | GLY | ||||
| 14 | GLU | ALA | VAL | GLU | LEU | ALA | ILE | GLU | TYR | ALA | ||||
| 15 | ARG | VAL | LEU | LEU | ALA | GLY | ALA | PHE | ILE | ILE | ||||
| 16 | VAL | PHE | ASN | ASN | VAL | GLY | ASN | GLY | ILE | LEU | ||||
| 17 | ARG | GLY | GLU | GLY | ASP | ALA | ASN | ARG | ALA | MET | ||||
| 18 | LEU | ALA | MET | VAL | LEU | GLY | SER | GLY | LEU | ASN | ||||
| 19 | ILE | VAL | LEU | ASP | PRO | ILE | PHE | ILE | TYR | THR | ||||
| 20 | LEU | GLY | PHE | GLY | VAL | VAL | GLY | ALA | ALA | TYR | ||||
| 21 | ALA | THR | LEU | LEU | SER | MET | VAL | VAL | THR | SER | ||||
| 22 | LEU | PHE | ILE | ALA | TYR | TRP | LEU | PHE | VAL | LYS | ||||
| 23 | ARG | ASP | THR | TYR | VAL | ASP | ILE | THR | LEU | ARG | ||||
| 24 | ASP | PHE | SER | PRO | SER | ARG | GLU | ILE | LEU | LYS | ||||
| 25 | ASP | ILE | LEU | ARG | VAL | GLY | LEU | PRO | SER | SER | ||||
| 26 | LEU | SER | GLN | LEU | SER | MET | SER | ILE | ALA | MET | ||||
| 27 | PHE | PHE | LEU | ASN | SER | VAL | ALA | ILE | THR | ALA | ||||
| 28 | GLY | GLY | GLU | ASN | GLY | VAL | ALA | VAL | PHE | THR | ||||
| 29 | SER | ALA | TRP | ARG | ILE | THR | MET | LEU | GLY | ILE | ||||
| 30 | VAL | PRO | ILE | LEU | GLY | MET | ALA | ALA | ALA | THR | ||||
| 31 | THR | SER | VAL | THR | GLY | ALA | ALA | TYR | GLY | GLU | ||||
| 32 | ARG | ASN | VAL | GLU | LYS | LEU | GLU | THR | ALA | TYR | ||||
| 33 | LEU | TYR | ALA | ILE | LYS | ILE | ALA | PHE | MET | ILE | ||||
| 34 | GLU | LEU | ALA | VAL | VAL | ALA | PHE | ILE | MET | LEU | ||||
| 35 | PHE | ALA | PRO | GLN | VAL | ALA | TYR | LEU | PHE | THR | ||||
| 36 | TYR | SER | GLU | SER | ALA | GLN | VAL | ILE | LYS | GLY | ||||
| 37 | ASP | LEU | ILE | SER | ALA | LEU | ARG | THR | LEU | PRO | ||||
| 38 | VAL | PHE | LEU | VAL | LEU | THR | PRO | PHE | GLY | MET | ||||
| 39 | MET | THR | SER | ALA | MET | PHE | GLN | GLY | ILE | GLY | ||||
| 40 | GLU | GLY | GLU | LYS | SER | LEU | ILE | LEU | THR | ILE | ||||
| 41 | PHE | ARG | THR | LEU | VAL | MET | GLN | VAL | GLY | PHE | ||||
| 42 | ALA | TYR | ILE | PHE | VAL | HIS | TYR | THR | THR | LEU | ||||
| 43 | GLY | LEU | ARG | GLY | VAL | TRP | ILE | GLY | ILE | VAL | ||||
| 44 | ILE | GLY | ASN | MET | VAL | ALA | ALA | ILE | VAL | GLY | ||||
| 45 | PHE | LEU | TRP | GLY | ARG | MET | ARG | ILE | SER | ALA | ||||
| 46 | LEU | LYS | LYS | THR | SER | ALA | THR | GLY | GLY | LYS | ||||
| 47 | ARG | LEU | GLU | LYS | LEU | HIS | HIS | HIS | HIS | HIS | ||||
| 48 | HIS |
Samples:
sample_1: PfMATE, [U-2H; 99% 1HD-Ile; 99% 1HE-Met], 35 uM; D2O, [U-100% 2H], 99.6%; sodium phosphate 10 mM; sodium chloride 100 mM; n-Dodecyl-b-d-maltoside >0.2%
sample_conditions_1: ionic strength: 0.1 M; pH: 6.8; pressure: 1 atm; temperature: 323 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-13C HMQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HMQC | sample_1 | isotropic | sample_conditions_1 |
Software:
NMRFAM-SPARKY - chemical shift assignment
TOPSPIN - collection, processing
NMR spectrometers:
- Bruker AVANCE III 600 MHz
- Bruker AVANCE III 800 MHz