BMRB Entry 16963
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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/BMR16963
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Title: Structure of the scorpion toxin U1-Liotoxin-Lw1a PubMed: 21670253
Deposition date: 2010-05-28 Original release date: 2012-03-29
Authors: Smith, Jennifer; Hill, Justine; Alewood, Paul; King, Glenn
Citation: Smith, Jennifer; Hill, Justine; Little, Michelle; Nicholson, Graham; King, Glenn; Alewood, Paul. "Unique scorpion toxin with a putative ancestral fold provides insight into evolution of the inhibitor cystine knot motif" Proc. Natl. Acad. Sci. U. S. A. 108, 10478-10483 (2011).
Assembly members:
U1-Liotoxin-Lw1a, polymer, 36 residues, 4174.9 Da.
Natural source: Common Name: Australian rainforest scorpion Taxonomy ID: 27399 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Liocheles waigiensis
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
U1-Liotoxin-Lw1a: DFPLSKEYESCVRPRKCKPP
LKCNKAQICVDPNKGW
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 253 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | U1-Liotoxin-Lw1a | 1 |
Entities:
Entity 1, U1-Liotoxin-Lw1a 36 residues - 4174.9 Da.
| 1 | ASP | PHE | PRO | LEU | SER | LYS | GLU | TYR | GLU | SER | ||||
| 2 | CYS | VAL | ARG | PRO | ARG | LYS | CYS | LYS | PRO | PRO | ||||
| 3 | LEU | LYS | CYS | ASN | LYS | ALA | GLN | ILE | CYS | VAL | ||||
| 4 | ASP | PRO | ASN | LYS | GLY | TRP |
Samples:
sample_1: LITX 0.3 mM; H2O 90%; D2O 10%
sample_conditions_1: ionic strength: 1 mM; pH: 3.1; pressure: 1 atm; temperature: 283 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H COSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
XEASY, Bartels et al. - chemical shift assignment
CYANA, Guntert, Mumenthaler and Wuthrich - structure solution
NMR spectrometers:
- Bruker Avance 900 MHz