BMRB Entry 25939
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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/BMR25939
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Title: Solution structure of K2 lobe of double-knot toxin PubMed: 26880553
Deposition date: 2016-01-04 Original release date: 2016-02-29
Authors: Bae, Chanhyung; Anselmi, Claudio; Kalia, Jeet; Jara-Oseguera, Andres; Schwieters, Charles; Krepkiy, Dmitriy; Lee, Chul Won; Kim, Eun-Hee; Kim, Jae Il; Faraldo-Gomez, Jose; Swartz, Kenton
Citation: Bae, Chanhyung; Anselmi, Claudio; Kalia, Jeet; Jara-Oseguera, Andres; Schwieters, Charles; Krepkiy, Dmitriy; Lee, Chul Won; Kim, Eun-Hee; Kim, Jae Il; Faraldo-Gomez, Jose; Swartz, Kenton. "Structural insights into the mechanism of activation of the TRPV1 channel by a membrane-bound tarantula toxin" eLife 5, e11273-e11273 (2016).
Assembly members:
K2, polymer, 33 residues, 3686.297 Da.
Natural source: Common Name: Chinese earth tiger Taxonomy ID: 29017 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Haplopelma schmidti
Experimental source: Production method: chemical synthesis
Entity Sequences (FASTA):
K2: NCAKEGEVCGWGSKCCHGLD
CPLAFIPYCEKYR
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 200 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | entity | 1 |
Entities:
Entity 1, entity 33 residues - 3686.297 Da.
| 1 | ASN | CYS | ALA | LYS | GLU | GLY | GLU | VAL | CYS | GLY | ||||
| 2 | TRP | GLY | SER | LYS | CYS | CYS | HIS | GLY | LEU | ASP | ||||
| 3 | CYS | PRO | LEU | ALA | PHE | ILE | PRO | TYR | CYS | GLU | ||||
| 4 | LYS | TYR | ARG |
Samples:
sample_K2: K2 1 mM; H2O 90%; D2O 10%
sample_conditions_1: pH: 4.0; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D DQF-COSY | sample_K2 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_K2 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_K2 | isotropic | sample_conditions_1 |
Software:
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
NMRView, Johnson, One Moon Scientific - chemical shift assignment
CYANA, Guntert, Mumenthaler and Wuthrich - geometry optimization
X-PLOR_NIH, Schwieters, Kuszewski, Tjandra and Clore - refinement
NMR spectrometers:
- Bruker Avance 600 MHz