BMRB Entry 52150
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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/BMR52150
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Title: Solution structure of thioredoxin from Pisum sativum PubMed: 38296131
Deposition date: 2023-09-26 Original release date: 2024-02-08
Authors: Neira, Jose Luis
Citation: Neira, Jose; Palomino-Schatzlein, Martina; Rejas, Virginia; Traverso, Jose; Rico, Manual; Lopez-Gorge, Julio; Chueca, Ana; Camara-Artigas, Ana. "Three-dimensional solution structure, dynamics and binding of thioredoxin m from Pisum sativum" Int. J. Biol. Macromol. ., 129781-129781 (2024).
Assembly members:
entity_1, polymer, 108 residues, Formula weight is not available
Natural source: Common Name: garden pea Taxonomy ID: 3888 Superkingdom: Eukaryota Kingdom: Viridiplantae Genus/species: Pisum sativum
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pETm11
Entity Sequences (FASTA):
entity_1: AVNEVQVVNDSSWDELVIGS
ETPVLVDFWAPWCGPCRMIA
PIIDELAKEYAGKIKCYKLN
TDESPNTATKYGIRSIPTVL
FFKNGEKKDSVIGAVPKATL
SEKVEKYI
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 304 |
| 15N chemical shifts | 112 |
| 1H chemical shifts | 723 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Thioredoxin | 1 |
Entities:
Entity 1, Thioredoxin 108 residues - Formula weight is not available
Ala is the first. Ile is the last
| 1 | ALA | VAL | ASN | GLU | VAL | GLN | VAL | VAL | ASN | ASP | ||||
| 2 | SER | SER | TRP | ASP | GLU | LEU | VAL | ILE | GLY | SER | ||||
| 3 | GLU | THR | PRO | VAL | LEU | VAL | ASP | PHE | TRP | ALA | ||||
| 4 | PRO | TRP | CYS | GLY | PRO | CYS | ARG | MET | ILE | ALA | ||||
| 5 | PRO | ILE | ILE | ASP | GLU | LEU | ALA | LYS | GLU | TYR | ||||
| 6 | ALA | GLY | LYS | ILE | LYS | CYS | TYR | LYS | LEU | ASN | ||||
| 7 | THR | ASP | GLU | SER | PRO | ASN | THR | ALA | THR | LYS | ||||
| 8 | TYR | GLY | ILE | ARG | SER | ILE | PRO | THR | VAL | LEU | ||||
| 9 | PHE | PHE | LYS | ASN | GLY | GLU | LYS | LYS | ASP | SER | ||||
| 10 | VAL | ILE | GLY | ALA | VAL | PRO | LYS | ALA | THR | LEU | ||||
| 11 | SER | GLU | LYS | VAL | GLU | LYS | TYR | ILE |
Samples:
sample_1: Thioredoxin 2 mM; Thioredoxin, [U-100% 13C; U-100% 15N], 2 mM; sodium phosphate 50 mM
sample_conditions_1: ionic strength: 0.050 M; pH: 5.8; pressure: 1 atm; temperature: 303 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 3D HNCA | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D HBHA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2d noesy | sample_1 | isotropic | sample_conditions_1 |
| 2d tocsy | sample_1 | isotropic | sample_conditions_1 |
Software:
SPARKY - chemical shift assignment
TOPSPIN v2.1 - acquisition
NMR spectrometers:
- Bruker Avance 500 MHz
Download HSQC peak lists in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts