BMRB Entry 30961

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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/BMR30961
MolProbity Validation Chart

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Title:
Solution structure of spider toxin Ssp1a
Deposition date:
2021-10-20
Original release date:
2022-01-28
Authors:
Wilson, D.; Daly, N.; Dongol, Y.; Lewis, R.
Citation:

Citation: Dongol, Y.; Choi, P.; Wilson, D.; Daly, N.; Cardoso, F.; Lewis, R.. "Voltage-Gated Sodium Channel Modulation by a New Spider Toxin Ssp1a Isolated From an Australian Theraphosid"  Front. Pharmacol. 12, 795455-795455 (2021).
PubMed: 35002728

Assembly members:

Assembly members:
entity_1, polymer, 34 residues, 4037.543 Da.

Natural source:

Natural source:   Common Name: spiders   Taxonomy ID: 1395660   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Selenotypus not available

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: GDCLGWFSGCDPNNNKCCEG YVCHWKYPWCRYDL

Data sets:
Data typeCount
13C chemical shifts25
15N chemical shifts33
1H chemical shifts220

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1unit_11

Entities:

Entity 1, unit_1 34 residues - 4037.543 Da.

1   GLYASPCYSLEUGLYTRPPHESERGLYCYS
2   ASPPROASNASNASNLYSCYSCYSGLUGLY
3   TYRVALCYSHISTRPLYSTYRPROTRPCYS
4   ARGTYRASPLEU

Samples:

sample_1: Ssp1a 0.5 mM

sample_conditions_1: ionic strength: 0 mM; pH: 4; pressure: 1 atm; temperature: 290 K

Experiments:

NameSampleSample stateSample conditions
2D TOCSYsample_1isotropicsample_conditions_1
2D COSYsample_1isotropicsample_conditions_1
2D NOESYsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1

Software:

CcpNmr Analysis, CCPN - chemical shift assignment, peak picking

TopSpin, Bruker Biospin - collection

CYANA, Guntert, Mumenthaler and Wuthrich - refinement, structure calculation

NMR spectrometers:

  • Bruker AVANCE III HD 600 MHz

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks