BMRB Entry 34887
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR34887
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NMR-STAR v3 text file.
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Title: the C-terminal domain of TonB protein from Salmonella enterica.
Deposition date: 2023-12-07 Original release date: 2024-01-11
Authors: Iwai, H.; Ciragan, A.; Oeemig, J.
Citation: Iwai, H.; Ciragan, A.; Oeemig, J.. "the C-terminal domain of TonB protein from Salmonella enterica." .
Assembly members:
entity_1, polymer, 90 residues, 10054.522 Da.
Natural source: Common Name: Salmonella enterica Taxonomy ID: 28901 Superkingdom: Bacteria Kingdom: not available Genus/species: Salmonella enterica
Experimental source: Production method: recombinant technology Host organism: Escherichia coli B Vector: pRSF
Entity Sequences (FASTA):
entity_1: STGPRALSRNQPQYPARAQA
LRIEGRVKVKFDVTSAGRVE
NVQILSAQPANMFEREVKNA
MRKWRYEAGKPGSGLVVNII
FRLNGTAQIE
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 394 |
| 15N chemical shifts | 95 |
| 1H chemical shifts | 642 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | unit_1 | 1 |
Entities:
Entity 1, unit_1 90 residues - 10054.522 Da.
| 1 | SER | THR | GLY | PRO | ARG | ALA | LEU | SER | ARG | ASN | |
| 2 | GLN | PRO | GLN | TYR | PRO | ALA | ARG | ALA | GLN | ALA | |
| 3 | LEU | ARG | ILE | GLU | GLY | ARG | VAL | LYS | VAL | LYS | |
| 4 | PHE | ASP | VAL | THR | SER | ALA | GLY | ARG | VAL | GLU | |
| 5 | ASN | VAL | GLN | ILE | LEU | SER | ALA | GLN | PRO | ALA | |
| 6 | ASN | MET | PHE | GLU | ARG | GLU | VAL | LYS | ASN | ALA | |
| 7 | MET | ARG | LYS | TRP | ARG | TYR | GLU | ALA | GLY | LYS | |
| 8 | PRO | GLY | SER | GLY | LEU | VAL | VAL | ASN | ILE | ILE | |
| 9 | PHE | ARG | LEU | ASN | GLY | THR | ALA | GLN | ILE | GLU |
Samples:
sample_1: TonB-CTD(154-242), [U-100% 13C; U-100% 15N], 1.1 ± 0.2 mM
sample_conditions_1: ionic strength: 20 mM; pH: 6; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| NOESY | sample_1 | isotropic | sample_conditions_1 |
| NOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
CYANA v3.0, Guentert - structure calculation
Amber, Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman - refinement
CYANA, Guntert, Mumenthaler and Wuthrich - chemical shift assignment
CcpNmr Analysis v2, CCPN - data analysis
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
TopSpin, Bruker Biospin - processing
NMR spectrometers:
- Varian INOVA 800 MHz
- Varian INOVA 600 MHz
- Bruker AVANCE III 950 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts