BMRB Entry 51030
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR51030
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Title: E14Q-EmrE with 16mM TPP, low pH PubMed: 36496486
Deposition date: 2021-07-27 Original release date: 2022-06-08
Authors: Tonelli, Marco; Thomas, Nathan; Spreacker, Peyton; Henzler-Wildman, Katherine
Citation: Spreacker, Peyton; Thomas, Nathan; Beeninga, Will; Brousseau, Merissa; Porter, Colin; Hibbs, Kylie; Henzler-Wildman, Katherine. "Activating alternative transport modes in a multidrug resistance efflux pump to confer chemical susceptibility" Nat. Commun. 13, 7655-7655 (2022).
Assembly members:
entity_1, polymer, 110 residues, 11910 Da.
entity_P4P, non-polymer, 339.389 Da.
Natural source: Common Name: E. coli Taxonomy ID: 562 Superkingdom: Bacteria Kingdom: not available Genus/species: Escherichia coli
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET15b
Entity Sequences (FASTA):
entity_1: MNPYIYLGGAILAQVIGTTL
MKFSEGFTRLWPSVGTIICY
CASFWLLAQTLAYIPTGIAY
AIWSGVGIVLISLLSWGFFG
QRLDLPAIIGMMLICAGVLI
INLLSRSTPH
- assigned_chemical_shifts
| Data type | Count |
| 15N chemical shifts | 153 |
| 1H chemical shifts | 153 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Chain A | 1 |
| 2 | Chain B | 1 |
| 3 | Tetraphenylphosphonium | 2 |
Entities:
Entity 1, Chain A 110 residues - 11910 Da.
| 1 | MET | ASN | PRO | TYR | ILE | TYR | LEU | GLY | GLY | ALA | |
| 2 | ILE | LEU | ALA | GLN | VAL | ILE | GLY | THR | THR | LEU | |
| 3 | MET | LYS | PHE | SER | GLU | GLY | PHE | THR | ARG | LEU | |
| 4 | TRP | PRO | SER | VAL | GLY | THR | ILE | ILE | CYS | TYR | |
| 5 | CYS | ALA | SER | PHE | TRP | LEU | LEU | ALA | GLN | THR | |
| 6 | LEU | ALA | TYR | ILE | PRO | THR | GLY | ILE | ALA | TYR | |
| 7 | ALA | ILE | TRP | SER | GLY | VAL | GLY | ILE | VAL | LEU | |
| 8 | ILE | SER | LEU | LEU | SER | TRP | GLY | PHE | PHE | GLY | |
| 9 | GLN | ARG | LEU | ASP | LEU | PRO | ALA | ILE | ILE | GLY | |
| 10 | MET | MET | LEU | ILE | CYS | ALA | GLY | VAL | LEU | ILE | |
| 11 | ILE | ASN | LEU | LEU | SER | ARG | SER | THR | PRO | HIS |
Entity 2, Tetraphenylphosphonium - C24 H20 P - 339.389 Da.
| 1 | P4P |
Samples:
sample_1: E14Q-EmrE, [U-100% 13C; U-100% 15N; U-80% 2H], 400 uM; Tetraphenylphosphonium 0-16 mM; D2O, [U-100% 2H], 10%; DSS 1%; sodium azide 0.05%; sodium chloride 20 mM; TCEP 2 mM; DHPC 240 mM; DMPC 80 mM; MES 50 mM
sample_conditions_1: ionic strength: 0.02 M; pH: 5.8; pressure: 1 atm; temperature: 318 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
Software:
CcpNMR v2.4 - chemical shift assignment, spectrum analysis, spectrum display
NMRPipe vany - spectrum processing
NMR spectrometers:
- Varian VNMRS 800 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts