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 25421

Title: NMR structure of spider toxin- G7W/N24S mutant of TRTX-Hhn2b   PubMed: 26429937

Deposition date: 2015-01-08 Original release date: 2015-12-21

Authors: Klint, Julie; Chin, Yanni; Mobli, Medhi

Citation: Klint, Julie; Chin, Yanni; Mobli, Medhi. "Rational Engineering Defines a Molecular Switch That Is Essential for Activity of Spider-Venom Peptides against the Analgesics Target NaV1.7"  Mol. Pharmacol. 88, 1002-1010 (2015).

Assembly members:
GWHhn2b, polymer, 34 residues, 3793.473 Da.

Natural source:   Common Name: Chinese bird spider   Taxonomy ID: 209901   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Haplopelma hainanum

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

Entity Sequences (FASTA):
GWHhn2b: AECKGFWKSCVPGKNECCSG YACSSRDKWCKVLL

Data sets:
Data typeCount
13C chemical shifts145
15N chemical shifts35
1H chemical shifts222

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1G7W/N24S Hhn2b1

Entities:

Entity 1, G7W/N24S Hhn2b 34 residues - 3793.473 Da.

1   ALAGLUCYSLYSGLYPHETRPLYSSERCYS
2   VALPROGLYLYSASNGLUCYSCYSSERGLY
3   TYRALACYSSERSERARGASPLYSTRPCYS
4   LYSVALLEULEU

Samples:

sample_1: GWHhn2b, [U-99% 13C; U-99% 15N], 300 uM; Sodium acetate 20 mM; D2O 5%; H2O 95%

sample_conditions_1: ionic strength: 20 mM; pH: 5; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
3D HBHA(CO)NHsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aliphaticsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aromaticsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D HBHA(CO)NHsample_1isotropicsample_conditions_1

Software:

TOPSPIN, Bruker Biospin - collection

CcpNmr_Analysis v2.4, CCPN - chemical shift assignment

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

NMR spectrometers:

  • Bruker Avance 900 MHz

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