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 30695

Title: Solution structure of delta-theraphotoxin-Hm1b from Heteroscodra maculata   PubMed: 32335140

Deposition date: 2019-12-05 Original release date: 2020-05-08

Authors: Chin, Y.; Chow, C.; King, G.

Citation: Chow, C.; Chin, Y.; Ma, L.; Undheim, E.; Herzig, V.; King, G.. "A selective NaV1.1 activator with potential for treatment of Dravet syndrome epilepsy"  Biochem. Pharmacol. ., 113991-113991 (2020).

Assembly members:
entity_1, polymer, 35 residues, 3993.551 Da.

Natural source:   Common Name: Togo starburst tarantula   Taxonomy ID: 268413   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Heteroscodra maculata

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

Entity Sequences (FASTA):
entity_1: SECRYLFGGCKTTADCCKHL GCRTDLYYCAWDGTF

Data sets:
Data typeCount
13C chemical shifts106
15N chemical shifts37
1H chemical shifts219

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 - 3993.551 Da.

1   SERGLUCYSARGTYRLEUPHEGLYGLYCYS
2   LYSTHRTHRALAASPCYSCYSLYSHISLEU
3   GLYCYSARGTHRASPLEUTYRTYRCYSALA
4   TRPASPGLYTHRPHE

Samples:

sample_1: Hm1b, [U-99% 15N], 325 uM; sodium phosphate 20 mM

sample_conditions_1: ionic strength: 20 mM; pH: 6; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1

Software:

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

CcpNmr Analysis, CCPN - chemical shift assignment, peak picking

TopSpin, Bruker Biospin - processing

NMR spectrometers:

  • Bruker AVANCE II 600 MHz
  • Bruker AVANCE III 900 MHz

Download simulated HSQC data in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts