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 30318

Title: Solution structure of kappa-theraphotoxin-Aa1a   PubMed: 30149017

Authors: Chin, Y.; Ma, L.; King, G.

Citation: Ma, Linlin; Chin, Yanni; Dekan, Zoltan; Herzig, Volker; Chow, Chun Yuen; Heighway, Jacqueline; Lam, Sau Wing; Guillemin, Gilles; Alewood, Paul; King, Glenn. "Novel venom-derived inhibitors of the human EAG channel, a putative antiepileptic drug target"  Biochem. Pharmacol. 158, 60-72 (2018).

Assembly members:
entity_1, polymer, 37 residues, 4163.811 Da.

Natural source:   Common Name: spiders   Taxonomy ID: 446523   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Avicularia not available

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):
entity_1: GDCHKFLGWCRGEKDPCCEH LTCHVKHGWCVWDGTIX

Data sets:
Data typeCount
13C chemical shifts121
15N chemical shifts38
1H chemical shifts235

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 37 residues - 4163.811 Da.

1   GLYASPCYSHISLYSPHELEUGLYTRPCYS
2   ARGGLYGLULYSASPPROCYSCYSGLUHIS
3   LEUTHRCYSHISVALLYSHISGLYTRPCYS
4   VALTRPASPGLYTHRILENH2

Samples:

sample_1: Kappa-theraphotoxin-Aa1a 1 mM; sodium phosphate 20 mM

sample_conditions_1: ionic strength: 20 mM; pH: 7.4; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1anisotropicsample_conditions_1
2D 1H-13C HSQCsample_1anisotropicsample_conditions_1
2D 1H-1H TOCSYsample_1anisotropicsample_conditions_1
2D 1H-1H NOESYsample_1anisotropicsample_conditions_1

Software:

Analysis, CCPN - chemical shift assignment, peak picking

CYANA, Guntert, Mumenthaler and Wuthrich - chemical shift assignment, refinement, structure calculation

TOPSPIN, Bruker Biospin - collection, processing

NMR spectrometers:

  • Bruker B 600 MHz

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