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 30411

Title: Solution NMR structure of JzTx-V, a Nav 1.7 inhibitory peptide   PubMed: 29723257

Deposition date: 2018-02-21 Original release date: 2018-04-30

Authors: Jordan, J.; Andrews, K.

Citation: Moyer, B.; Murray, J.; Ligutti, J.; Andrews, K.; Favreau, P.; Jordan, J.; Lee, J.; Liu, D.; Long, J.; Sham, K.; Shi, L.; Stocklin, R.; Wu, B.; Yin, R.; Yu, V.; Zou, A.; Biswas, K.; Miranda, L.. "Pharmacological characterization of potent and selective NaV1.7 inhibitors engineered from Chilobrachys jingzhao tarantula venom peptide JzTx-V."  PLoS ONE 13, e0196791-e0196791 (2018).

Assembly members:
entity_1, polymer, 29 residues, 3617.363 Da.

Natural source:   Common Name: Chinese earth tiger tarantula   Taxonomy ID: 278060   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Chilobrachys guangxiensis

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):
entity_1: YCQKWXWTCDSKRACCEGLR CKLWCRKEI

Data sets:
Data typeCount
1H chemical shifts136

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1entity_11

Entities:

Entity 1, entity_1 29 residues - 3617.363 Da.

1   TYRCYSGLNLYSTRPNLETRPTHRCYSASP
2   SERLYSARGALACYSCYSGLUGLYLEUARG
3   CYSLYSLEUTRPCYSARGLYSGLUILE

Samples:

sample_1: JzTx-V 5 mg/mL; Sodium Phosphate 20 mM; Sodium Chloride 50 mM

sample_conditions_1: ionic strength: 70 mM; pH: 7.0; pressure: 760 Torr; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
HMBCsample_1isotropicsample_conditions_1

Software:

CYANA v3, Guntert, Mumenthaler and Wuthrich - structure calculation

SPARKY, Goddard - chemical shift assignment, peak picking

NMR spectrometers:

  • Bruker AvanceIII 500 MHz
  • Bruker AvanceIII 600 MHz