BMRB Entry 25922
Click here to enlarge.
PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR25922
MolProbity Validation Chart
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
NMR-STAR v2.1 text file (deprecated)
XML gzip file.
RDF gzip file.
All files associated with the entry
Title: Solution structure of K1 lobe of double-knot toxin PubMed: 26880553
Deposition date: 2015-12-16 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:
K1, polymer, 42 residues, 4884.734 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):
K1: DCAKEGEVCSWGKKCCDLDN
FYCPMEFIPHCKKYKPYVPV
TT
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 262 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | K1 | 1 |
Entities:
Entity 1, K1 42 residues - 4884.734 Da.
| 1 | ASP | CYS | ALA | LYS | GLU | GLY | GLU | VAL | CYS | SER | ||||
| 2 | TRP | GLY | LYS | LYS | CYS | CYS | ASP | LEU | ASP | ASN | ||||
| 3 | PHE | TYR | CYS | PRO | MET | GLU | PHE | ILE | PRO | HIS | ||||
| 4 | CYS | LYS | LYS | TYR | LYS | PRO | TYR | VAL | PRO | VAL | ||||
| 5 | THR | THR |
Samples:
sample_K1: K1 1 mM
sample_conditions_1: pH: 4.0; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D DQF-COSY | sample_K1 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | sample_K1 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | sample_K1 | isotropic | sample_conditions_1 |
Software:
CYANA v2.1, Guntert, Mumenthaler and Wuthrich - geometry optimization
X-PLOR_NIH, Schwieters, Kuszewski, Tjandra and Clore - refinement
NMRView, Johnson, One Moon Scientific - chemical shift assignment
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
NMR spectrometers:
- Bruker Avance 600 MHz