BMRB Entry 51424
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR51424
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Title: Backbone resonance assignments and relaxation rates for the ergothioneine-bound form of the solute binding domain of the ergothioneine transporter EgtU PubMed: 36481738
Deposition date: 2022-04-30 Original release date: 2022-12-12
Authors: Edmonds, Katherine; Zhang, Yifan; Giedroc, David
Citation: Zhang, Yifan; Gonzalez-Gutierrez, Giovanni; Legg, Katherine; Walsh, Brenna; Pis Diez, Cristian; Edmonds, Katherine; Giedroc, David. "Discovery and structure of a widespread bacterial ABC transporter specific for ergothioneine" Nat. Commun. 13, 7586-7586 (2022).
Assembly members:
entity_1, polymer, 277 residues, Formula weight is not available
Natural source: Common Name: Streptococcus pneumoniae Taxonomy ID: 1313 Superkingdom: Bacteria Kingdom: not available Genus/species: Streptococcus pneumoniae
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pSUMO
Entity Sequences (FASTA):
entity_1: SHMEKENLIIAGKIGPEPEI
LANMYKLLIEENTSMTATVK
PNFGTTSFLYEALKKGDIDI
YPEFTGTVTESLLQPSPKVS
HEPEQVYQVARDGIAKQDHL
AYLKPMSYQNTYAVAVPKKI
AQEYGLKTISDLKKVEGQLK
AGFTLEFNDREDGNKGLQSM
YGLNLNVATMQPALRYQAIH
SGDIQITDAYSTDAELERYD
LQVLEDDKQLFPPYQGAPLM
KEALLKKHPELERVLNTLAG
KITESQMSQLNYQVGVEGKS
AKQVAKEFLQEQGLLKK
- assigned_chemical_shifts
- heteronucl_T1_relaxation
- heteronucl_T2_relaxation
| Data type | Count |
| 13C chemical shifts | 801 |
| 15N chemical shifts | 258 |
| 1H chemical shifts | 258 |
| T1 relaxation values | 257 |
| T2 relaxation values | 257 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | EgtU | 1 |
Entities:
Entity 1, EgtU 277 residues - Formula weight is not available
The first 3 residues of this construct are a cloning artifact. Remaining residues are the soluble, extracellular domain, residues 230-506.
| 1 | SER | HIS | MET | GLU | LYS | GLU | ASN | LEU | ILE | ILE | ||||
| 2 | ALA | GLY | LYS | ILE | GLY | PRO | GLU | PRO | GLU | ILE | ||||
| 3 | LEU | ALA | ASN | MET | TYR | LYS | LEU | LEU | ILE | GLU | ||||
| 4 | GLU | ASN | THR | SER | MET | THR | ALA | THR | VAL | LYS | ||||
| 5 | PRO | ASN | PHE | GLY | THR | THR | SER | PHE | LEU | TYR | ||||
| 6 | GLU | ALA | LEU | LYS | LYS | GLY | ASP | ILE | ASP | ILE | ||||
| 7 | TYR | PRO | GLU | PHE | THR | GLY | THR | VAL | THR | GLU | ||||
| 8 | SER | LEU | LEU | GLN | PRO | SER | PRO | LYS | VAL | SER | ||||
| 9 | HIS | GLU | PRO | GLU | GLN | VAL | TYR | GLN | VAL | ALA | ||||
| 10 | ARG | ASP | GLY | ILE | ALA | LYS | GLN | ASP | HIS | LEU | ||||
| 11 | ALA | TYR | LEU | LYS | PRO | MET | SER | TYR | GLN | ASN | ||||
| 12 | THR | TYR | ALA | VAL | ALA | VAL | PRO | LYS | LYS | ILE | ||||
| 13 | ALA | GLN | GLU | TYR | GLY | LEU | LYS | THR | ILE | SER | ||||
| 14 | ASP | LEU | LYS | LYS | VAL | GLU | GLY | GLN | LEU | LYS | ||||
| 15 | ALA | GLY | PHE | THR | LEU | GLU | PHE | ASN | ASP | ARG | ||||
| 16 | GLU | ASP | GLY | ASN | LYS | GLY | LEU | GLN | SER | MET | ||||
| 17 | TYR | GLY | LEU | ASN | LEU | ASN | VAL | ALA | THR | MET | ||||
| 18 | GLN | PRO | ALA | LEU | ARG | TYR | GLN | ALA | ILE | HIS | ||||
| 19 | SER | GLY | ASP | ILE | GLN | ILE | THR | ASP | ALA | TYR | ||||
| 20 | SER | THR | ASP | ALA | GLU | LEU | GLU | ARG | TYR | ASP | ||||
| 21 | LEU | GLN | VAL | LEU | GLU | ASP | ASP | LYS | GLN | LEU | ||||
| 22 | PHE | PRO | PRO | TYR | GLN | GLY | ALA | PRO | LEU | MET | ||||
| 23 | LYS | GLU | ALA | LEU | LEU | LYS | LYS | HIS | PRO | GLU | ||||
| 24 | LEU | GLU | ARG | VAL | LEU | ASN | THR | LEU | ALA | GLY | ||||
| 25 | LYS | ILE | THR | GLU | SER | GLN | MET | SER | GLN | LEU | ||||
| 26 | ASN | TYR | GLN | VAL | GLY | VAL | GLU | GLY | LYS | SER | ||||
| 27 | ALA | LYS | GLN | VAL | ALA | LYS | GLU | PHE | LEU | GLN | ||||
| 28 | GLU | GLN | GLY | LEU | LEU | LYS | LYS |
Samples:
sample_1: EgtU, [U-13C; U-15N; U-2H], 0.75 mM; D2O, [U-2H], 10%; DSS 0.3 mM; sodium chloride 150 mM; sodium phosphate 10 mM; ergothioneine 0.75 mM
sample_2: EgtU, [U-15N], 0.75 mM; D2O, [U-2H], 10%; DSS 0.3 mM; sodium chloride 150 mM; sodium phosphate 10 mM; ergothioneine 0.75 mM
sample_conditions_1: pH: 7; pressure: 1 atm; temperature: 273 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N TROSY | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D HN(CO)CA | sample_1 | isotropic | sample_conditions_1 |
| 3D HN(CO)CACB | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCA | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D HN(CA)CO | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N TROSY | sample_2 | isotropic | sample_conditions_1 |
| T1/R1 relaxation | sample_2 | isotropic | sample_conditions_1 |
| T2/R2 relaxation | sample_2 | isotropic | sample_conditions_1 |
| 1H-15N heteronoe | sample_2 | isotropic | sample_conditions_1 |
Software:
TOPSPIN v4.1.3 - collection
NMRPipe - processing
SPARKY - data analysis
CARA - data analysis
istHMS - processing
NMR spectrometers:
- Bruker AVANCE NEO 600 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts