BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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BMRB Entry 25939

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

Data sets:
Data typeCount
1H chemical shifts200

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1entity1

Entities:

Entity 1, entity 33 residues - 3686.297 Da.

1   ASNCYSALALYSGLUGLYGLUVALCYSGLY
2   TRPGLYSERLYSCYSCYSHISGLYLEUASP
3   CYSPROLEUALAPHEILEPROTYRCYSGLU
4   LYSTYRARG

Samples:

sample_K2: K2 1 mM; H2O 90%; D2O 10%

sample_conditions_1: pH: 4.0; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D DQF-COSYsample_K2isotropicsample_conditions_1
2D 1H-1H TOCSYsample_K2isotropicsample_conditions_1
2D 1H-1H NOESYsample_K2isotropicsample_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