BMRB Entry 19830
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR19830
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Title: Structural and biochemical characterization of Jaburetox
Deposition date: 2014-03-04 Original release date: 2015-01-20
Authors: Dobrovolska, Olena; Lopez, Fernanda; Ciurli, Stefano; Zambelli, Barbara; Carlini, Celia
Citation: Dobrovolska, Olena; Lopez, Fernanda; Zambelli, Barbara; Carlini, Celia; Ciurli, Stefano. "1H, 13C, 15N resonance assignments of reduced Jaburetox" FEBS ., .-..
Assembly members:
Jbtx, polymer, 93 residues, Formula weight is not available
Natural source: Common Name: jack bean Taxonomy ID: 3823 Superkingdom: Eukaryota Kingdom: Viridiplantae Genus/species: Canavalia ensiformis
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
Jbtx: MGPVNEANCKAAMEIVCRRE
FGHKEEEDASEGVTTGDPDC
PFTKAIPREEYANKYGPTIG
DKIRLGDTDLIAEIEKDFAL
YGDESVFGGGKVI
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 297 |
| 15N chemical shifts | 84 |
| 1H chemical shifts | 487 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Jaburetox | 1 |
Entities:
Entity 1, Jaburetox 93 residues - Formula weight is not available
| 1 | MET | GLY | PRO | VAL | ASN | GLU | ALA | ASN | CYS | LYS | ||||
| 2 | ALA | ALA | MET | GLU | ILE | VAL | CYS | ARG | ARG | GLU | ||||
| 3 | PHE | GLY | HIS | LYS | GLU | GLU | GLU | ASP | ALA | SER | ||||
| 4 | GLU | GLY | VAL | THR | THR | GLY | ASP | PRO | ASP | CYS | ||||
| 5 | PRO | PHE | THR | LYS | ALA | ILE | PRO | ARG | GLU | GLU | ||||
| 6 | TYR | ALA | ASN | LYS | TYR | GLY | PRO | THR | ILE | GLY | ||||
| 7 | ASP | LYS | ILE | ARG | LEU | GLY | ASP | THR | ASP | LEU | ||||
| 8 | ILE | ALA | GLU | ILE | GLU | LYS | ASP | PHE | ALA | LEU | ||||
| 9 | TYR | GLY | ASP | GLU | SER | VAL | PHE | GLY | GLY | GLY | ||||
| 10 | LYS | VAL | ILE |
Samples:
sample_1: Jbtx, [U-99% 13C; U-99% 15N], 1 mM; sodium phosphate 50 mM; EDTA 1 mM; TCEP 1 mM; D2O 5%; H2O 95%
sample_conditions_1: pH: 6.5; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | 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 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY | 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 TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D HBHA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
Software:
TOPSPIN v3.2, Bruker Biospin - processing
NMR spectrometers:
- Bruker Avance 800 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts