BMRB Entry 34825
Click here to enlarge.
PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR34825
MolProbity Validation Chart
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry
Citation: Rommelaere, Samuel; Carboni, Alexia; Bada Juarez, Juan; Boquete, Jean-Philippe; Abriata, Luciano; Teixeira Pinto Meireles, Fernando; Rukes, Verena; Vincent, Crystal; Kondo, Shu; Dionne, Marc; Dal Peraro, Matteo; Cao, Chan; Lemaitre, Bruno. "A humoral stress response protects Drosophila tissues from antimicrobial peptides" Curr. Biol. 34, 1426-1437 (2024).
PubMed: 38484734
Assembly members:
entity_1, polymer, 116 residues, 12989.512 Da.
Natural source: Common Name: fruit fly Taxonomy ID: 7227 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Drosophila melanogaster
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
entity_1: MGYSDEDREADNLRIAEIIK
NAQDDDSKINSTQELLDIYR
RLYPSLTPEERESIDKFVNE
HTDAIIIDGVPIQGGRKARI
VGKIVSPGVKGLATGFFEEL
GSKLAQLFAGENLYFQ
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 324 |
| 15N chemical shifts | 108 |
| 1H chemical shifts | 358 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | unit_1 | 1 |
Entities:
Entity 1, unit_1 116 residues - 12989.512 Da.
| 1 | MET | GLY | TYR | SER | ASP | GLU | ASP | ARG | GLU | ALA | ||||
| 2 | ASP | ASN | LEU | ARG | ILE | ALA | GLU | ILE | ILE | LYS | ||||
| 3 | ASN | ALA | GLN | ASP | ASP | ASP | SER | LYS | ILE | ASN | ||||
| 4 | SER | THR | GLN | GLU | LEU | LEU | ASP | ILE | TYR | ARG | ||||
| 5 | ARG | LEU | TYR | PRO | SER | LEU | THR | PRO | GLU | GLU | ||||
| 6 | ARG | GLU | SER | ILE | ASP | LYS | PHE | VAL | ASN | GLU | ||||
| 7 | HIS | THR | ASP | ALA | ILE | ILE | ILE | ASP | GLY | VAL | ||||
| 8 | PRO | ILE | GLN | GLY | GLY | ARG | LYS | ALA | ARG | ILE | ||||
| 9 | VAL | GLY | LYS | ILE | VAL | SER | PRO | GLY | VAL | LYS | ||||
| 10 | GLY | LEU | ALA | THR | GLY | PHE | PHE | GLU | GLU | LEU | ||||
| 11 | GLY | SER | LYS | LEU | ALA | GLN | LEU | PHE | ALA | GLY | ||||
| 12 | GLU | ASN | LEU | TYR | PHE | GLN |
Samples:
sample_1: D. melanogaster TotA, [U-15N], 0.9 mM; Mes pH 6 20 mM; sodium chloride 100 mM
sample_2: D. melanogaster TotA, [U-13C; U-15N], 0.9 mM; Mes pH 6 20 mM; sodium chloride 100 mM
sample_3: D. melanogaster TotA 0.9 mM; Mes pH 6 20 mM; sodium chloride 100 mM
sample_conditions_1: ionic strength: 100 mM; pH: 6; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_3 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_3 | isotropic | sample_conditions_1 |
| 3D 1H-15N TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCA | sample_2 | isotropic | sample_conditions_1 |
| 3D HN(CO)CA | sample_2 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_2 | isotropic | sample_conditions_1 |
| 3D HNHA | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_2 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_2 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY | sample_2 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | sample_2 | isotropic | sample_conditions_1 |
Software:
TopSpin, Bruker Biospin - collection
CYANA, Guntert, Mumenthaler and Wuthrich - refinement, structure calculation
UNIO, T. Herrmann - peak picking
CARA, Keller and Wuthrich - chemical shift assignment
NMR spectrometers:
- Bruker AVANCE NEO 800 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated peaks
SPARKY: Backbone
or all simulated peaks