BMRB Entry 34514
Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR34514
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
NMR-STAR v2.1 text file (deprecated)
XML gzip file.
RDF gzip file.
All files associated with the entry
Title: Solution NMR structure of the isolated NTE domain of BT1762-63 levan transporter
Deposition date: 2020-04-24 Original release date: 2020-07-03
Authors: Rath, P.; Mazur, A.; Hiller, S.
Citation: Rath, P.; Mazur, A.; Hiller, S.. "Solution NMR structure of the isolated NTE domain of BT1762-63 levan transporter" . ., .-..
Assembly members:
entity_1, polymer, 93 residues, 9947.120 Da.
Natural source: Common Name: Bacteroides thetaiotaomicron Taxonomy ID: 818 Superkingdom: Bacteria Kingdom: not available Genus/species: Bacteroides thetaiotaomicron
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
entity_1: MGHHHHHHTKGNVTSKTDGQ
PIIGASVVETTATTNGTITD
FDGNFTLSVPVNSTLKITYI
GYKPVTVKAAAIVNVLLEED
TQMVDEVVVTGYT
- assigned_chemical_shifts
- spectral_peak_list
| Data type | Count |
| 13C chemical shifts | 245 |
| 15N chemical shifts | 89 |
| 1H chemical shifts | 599 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | unit_1 | 1 |
Entities:
Entity 1, unit_1 93 residues - 9947.120 Da.
| 1 | MET | GLY | HIS | HIS | HIS | HIS | HIS | HIS | THR | LYS | ||||
| 2 | GLY | ASN | VAL | THR | SER | LYS | THR | ASP | GLY | GLN | ||||
| 3 | PRO | ILE | ILE | GLY | ALA | SER | VAL | VAL | GLU | THR | ||||
| 4 | THR | ALA | THR | THR | ASN | GLY | THR | ILE | THR | ASP | ||||
| 5 | PHE | ASP | GLY | ASN | PHE | THR | LEU | SER | VAL | PRO | ||||
| 6 | VAL | ASN | SER | THR | LEU | LYS | ILE | THR | TYR | ILE | ||||
| 7 | GLY | TYR | LYS | PRO | VAL | THR | VAL | LYS | ALA | ALA | ||||
| 8 | ALA | ILE | VAL | ASN | VAL | LEU | LEU | GLU | GLU | ASP | ||||
| 9 | THR | GLN | MET | VAL | ASP | GLU | VAL | VAL | VAL | THR | ||||
| 10 | GLY | TYR | THR |
Samples:
sample_1: Isolated NTE domain of BT1762-63 levan transporter, [U-15N; U-13C], 1 mM; Isolated NTE domain of BT1762-63 levan transporter_2, [U-15N; U-13C], 1 mM; Isolated NTE domain of BT1762-63 levan transporter_3, [U-15N; U-13C], 1 mM; Isolated NTE domain of BT1762-63 levan transporter_4, [U-15N; U-13C], 1 mM; Isolated NTE domain of BT1762-63 levan transporter_5, [U-15N; U-13C], 1 mM; sodium phosphate 20 mM; NaCl 150 mM
sample_conditions_1: ionic strength: 150 mM; pH: 7.5; pressure: 1 atm; temperature: 293 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCA | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY aliphatic | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
Software:
CYANA, Guntert P., Guntert, Mumenthaler and Wuthrich - peak picking, refinement, structure calculation
CARA, Keller and Wuthrich - chemical shift assignment
NMR spectrometers:
- Bruker AVANCE 700 MHz
- Bruker AVANCE 700 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts