BMRB Entry 11535
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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/BMR11535
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Title: Solution structure of navitoxin PubMed: 24425781
Deposition date: 2013-10-16 Original release date: 2014-04-22
Authors: Umetsu, Yoshitaka; Ohki, Shinya
Citation: Zhu, Shunyi; Peigneur, Steve; Gao, Bin; Umetsu, Yoshitaka; Ohki, Shinya; Tytgat, Jan. "Experimental conversion of a defensin into a neurotoxin: implications for origin of toxic function" Mol. Biol. Evol. 31, 546-559 (2014).
Assembly members:
entity, polymer, 30 residues, 3280.877 Da.
Natural source: Common Name: jewel wasp Taxonomy ID: 7425 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Nasonia vitripennis
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
entity: FSCDHSACAVRCLAQRRKGG
KCKNGDCVCR
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 191 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity | 1 |
Entities:
Entity 1, entity 30 residues - 3280.877 Da.
| 1 | PHE | SER | CYS | ASP | HIS | SER | ALA | CYS | ALA | VAL | |
| 2 | ARG | CYS | LEU | ALA | GLN | ARG | ARG | LYS | GLY | GLY | |
| 3 | LYS | CYS | LYS | ASN | GLY | ASP | CYS | VAL | CYS | ARG |
Samples:
sample_1: entity 1 mM; H2O 90%; D2O 10%
sample_conditions_1: pH: 3.0; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
CYANA, Guntert, Mumenthaler and Wuthrich - structure solution
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
SPARKY, Goddard - chemical shift assignment
NMR spectrometers:
- Bruker Avance 800 MHz
Related Database Links:
| PDB |