BMRB Entry 34480
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR34480
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Title: Solution structure of Legionella pneumophila NttA PubMed: 32656228
Deposition date: 2020-01-16 Original release date: 2020-07-20
Authors: Portlock, T.; Garnett, J.
Citation: Portlock, Theo; Tyson, Jessica; Dantu, Sarath; Rehman, Saima; White, Richard; McIntire, Ian; Sewell, Lee; Richardson, Katherine; Shaw, Rosie; Pandini, Alessandro; Cianciotto, Nicholas; Garnett, James. "Structure, Dynamics and Cellular Insight Into Novel Substrates of the Legionella pneumophila Type II Secretion System" Front. Mol. Biosci. 7, 112-112 (2020).
Assembly members:
entity_1, polymer, 116 residues, 13333.118 Da.
Natural source: Common Name: Legionella pneumophila Taxonomy ID: 446 Superkingdom: Bacteria Kingdom: not available Genus/species: Legionella pneumophila
Experimental source: Production method: recombinant technology Host organism: Escherichia coli BL21(DE3)
Entity Sequences (FASTA):
entity_1: MAHHHHHHVDDDDKMEDTAN
PNEMTKDAWLNSMTPLLPDL
ICKGFIQDPDLKKRFDEIKM
TYEQCVTLIPESTKKCQDEL
YASMPDKINSETAGTWGRSL
GECIGKDFAEKHLIPK
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 485 |
| 15N chemical shifts | 103 |
| 1H chemical shifts | 754 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | unit_1 | 1 |
Entities:
Entity 1, unit_1 116 residues - 13333.118 Da.
| 1 | MET | ALA | HIS | HIS | HIS | HIS | HIS | HIS | VAL | ASP | ||||
| 2 | ASP | ASP | ASP | LYS | MET | GLU | ASP | THR | ALA | ASN | ||||
| 3 | PRO | ASN | GLU | MET | THR | LYS | ASP | ALA | TRP | LEU | ||||
| 4 | ASN | SER | MET | THR | PRO | LEU | LEU | PRO | ASP | LEU | ||||
| 5 | ILE | CYS | LYS | GLY | PHE | ILE | GLN | ASP | PRO | ASP | ||||
| 6 | LEU | LYS | LYS | ARG | PHE | ASP | GLU | ILE | LYS | MET | ||||
| 7 | THR | TYR | GLU | GLN | CYS | VAL | THR | LEU | ILE | PRO | ||||
| 8 | GLU | SER | THR | LYS | LYS | CYS | GLN | ASP | GLU | LEU | ||||
| 9 | TYR | ALA | SER | MET | PRO | ASP | LYS | ILE | ASN | SER | ||||
| 10 | GLU | THR | ALA | GLY | THR | TRP | GLY | ARG | SER | LEU | ||||
| 11 | GLY | GLU | CYS | ILE | GLY | LYS | ASP | PHE | ALA | GLU | ||||
| 12 | LYS | HIS | LEU | ILE | PRO | LYS |
Samples:
sample_1: NttA, [U-99% 13C; U-99% 15N], 0.4 mM; sodium phosphate 50 mM; sodium chloride 50 mM
sample_conditions_1: ionic strength: 100 mM; pH: 7.0; pressure: 1 atm; temperature: 310 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D CCH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCA | sample_1 | isotropic | sample_conditions_1 |
| 3D HN(CO)CA | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
Software:
CNS, Brunger A. T. et.al. - refinement
ARIA, Linge, O'Donoghue and Nilges - structure calculation
CcpNmr Analysis, CCPN - chemical shift assignment, peak picking
NMR spectrometers:
- Bruker AVANCE III 700 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts