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 30164

Title: NMR solution structure of the Nav1.7 selective spider venom-derived peptide Pn3a

Authors: Rosengren, K.; Armstrong, D.; Vetter, I.

Citation: Deuis, J.; Dekan, Z.; Wingerd, J.; Smith, J.; Munasinghe, N.; Bhola, R.; Imlach, W.; Herzig, V.; Armstrong, D.; Rosengren, K.; Bosmans, F.; Waxman, S.; Dib-Hajj, S.; Escoubas, P.; Minett, M.; Christie, M.; King, G.; Alewood, P.; Lewis, R.; Wood, J.; Vetter, I.. "Analgesia from inhibition of NaV1.7 by novel spider venom-derived peptide Pn3a requires synergy with opioids"  . ., .-..

Assembly members:
entity_1, polymer, 35 residues, 4285.990 Da.

Natural source:   Common Name: tarantulas   Taxonomy ID: 6895   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: not available not available

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):
entity_1: DCRYMFGDCEKDEDCCKHLG CKRKMKYCAWDFTFT

Data sets:
Data typeCount
13C chemical shifts79
15N chemical shifts33
1H chemical shifts204

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 35 residues - 4285.990 Da.

1   ASPCYSARGTYRMETPHEGLYASPCYSGLU
2   LYSASPGLUASPCYSCYSLYSHISLEUGLY
3   CYSLYSARGLYSMETLYSTYRCYSALATRP
4   ASPPHETHRPHETHR

Samples:

sample_1: mu-theraphotoxin-Pn3a 2 ± 0.2 mg/mL

sample_2: mu-theraphotoxin-Pn3a 2 ± 0.2 mg/mL

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

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_2isotropicsample_conditions_1
2D 1H-1H TOCSYsample_2isotropicsample_conditions_1
2D 1H-13C HSQCsample_2isotropicsample_conditions_1
2D 1H-1H ECOSYsample_2isotropicsample_conditions_1

Software:

CARA, Keller and Wuthrich - chemical shift assignment

CNS v1.2, Brunger, Adams, Clore, Gros, Nilges and Read - refinement

CYANA v3.0, Guntert, Mumenthaler and Wuthrich - structure calculation

TOPSPIN v2.1, Bruker Biospin - collection

NMR spectrometers:

  • Bruker Avance 600 MHz

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