BMRB Entry 26054
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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/BMR26054
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Title: NMR structure of omega-agatoxin IVA in DPC micelles PubMed: 27838299
Deposition date: 2016-05-12 Original release date: 2017-08-25
Authors: Ryu, Jae Ha; Kim, Jae Il
Citation: Ryu, Jae Ha; Jung, Hoi Jong; Konishi, Shiro; Kim, Ha Hyung; Park, Zee-Yong; Kim, Jae Il. "Structure-activity relationships of omega-Agatoxin IVA in lipid membranes" Biochem. Biophys. Res. Commun. 482, 170-175 (2017).
Assembly members:
entity, polymer, 49 residues, 5277.445 Da.
Natural source: Common Name: spiders Taxonomy ID: 6908 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Agelenopsis aperta
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
entity: GKKKCIAKDYGRCKWGGTPC
CRGRGCICSIMGTNCECKPR
LIMEGLGLA
- assigned_chemical_shifts
| Data type | Count |
| 15N chemical shifts | 48 |
| 1H chemical shifts | 298 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity | 1 |
Entities:
Entity 1, entity 49 residues - 5277.445 Da.
| 1 | GLY | LYS | LYS | LYS | CYS | ILE | ALA | LYS | ASP | TYR | ||||
| 2 | GLY | ARG | CYS | LYS | TRP | GLY | GLY | THR | PRO | CYS | ||||
| 3 | CYS | ARG | GLY | ARG | GLY | CYS | ILE | CYS | SER | ILE | ||||
| 4 | MET | GLY | THR | ASN | CYS | GLU | CYS | LYS | PRO | ARG | ||||
| 5 | LEU | ILE | MET | GLU | GLY | LEU | GLY | LEU | ALA |
Samples:
sample_1: entity mM; DPC, [U-100% 2H], 50 mM
sample_conditions_1: pH: 4.0; pressure: 1 atm; temperature: 310 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-1H TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 2D DQF-COSY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N TOCSY | sample_1 | isotropic | sample_conditions_1 |
Software:
CYANA, Guntert, Mumenthaler and Wuthrich - chemical shift assignment
NMR spectrometers:
- Bruker Avance 600 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts