BMRB Entry 17681
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR17681
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Title: Solution Structure of a Short-chain LaIT1 from the Venom of Scorpion Liocheles australasiae PubMed: 21782787
Deposition date: 2011-06-01 Original release date: 2011-08-25
Authors: Horita, Shoichiro; Miyakawa, Takuya; Nagata, Koji; Tanokura, Masaru
Citation: Horita, Shoichiro; Matsushita, Nobuto; Kawachi, Tomoyuki; Ayabe, Reed; Miyashita, Masahiro; Miyakawa, Takuya; Nakagawa, Yoshiaki; Nagata, Koji; Miyagawa, Hisashi; Tanokura, Masaru. "Solution structure of a short-chain insecticidal toxin LaIT1 from the venom of scorpion Liocheles australasiae" Biochem. Biophys. Res. Commun. 411, 738-744 (2011).
Assembly members:
entity, polymer, 36 residues, 4215.021 Da.
Natural source: Common Name: Liocheles australasiae Taxonomy ID: 431266 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Liocheles australasiae
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
entity: DFPLSKEYETCVRPRKCQPP
LKCNKAQICVDPKKGW
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 100 |
| 15N chemical shifts | 35 |
| 1H chemical shifts | 215 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | LaIt_1 | 1 |
Entities:
Entity 1, LaIt_1 36 residues - 4215.021 Da.
| 1 | ASP | PHE | PRO | LEU | SER | LYS | GLU | TYR | GLU | THR | ||||
| 2 | CYS | VAL | ARG | PRO | ARG | LYS | CYS | GLN | PRO | PRO | ||||
| 3 | LEU | LYS | CYS | ASN | LYS | ALA | GLN | ILE | CYS | VAL | ||||
| 4 | ASP | PRO | LYS | LYS | GLY | TRP |
Samples:
sample_1: H2O 90%; D2O 10%; MES 20 mM; sodium chloride 50 mM; LaIt_1, [U-13C; U-15N; U-1H], 1.5 mM
sample_conditions_1: pH: 6.0; 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 HN(CO)CA | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | 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 |
| 3D HCCH-COSY | 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 |
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
Software:
CYANA vv2.1, Guntert, Mumenthaler and Wuthrich - structure solution
NMR spectrometers:
- Varian INOVA 600 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts