BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

BMRB Entry 6066

Title: Structure-Activity Relationships in a Sodium Channels Inhibitor Hainantoxin-Iv   PubMed: 15201273

Authors: Li, D.; Lu, S.; Gu, X.; Liang, S.

Citation: Li, D.; Xiao, Y.; Xu, X.; Xong, X.; Lu, S.; Liu, Z.; Zhu, Q.; Wang, M.; Gu, X.; Liang, S.. "Structure-Activity Relationships of Hainantoxin-IV, structure determination of active and inactive sodium channel blockers"  J. Biol. Chem. 279, 37734-37740 (2004).

Assembly members:
K27A Hainantoxin-IV, polymer, 36 residues, Formula weight is not available

Natural source:   Common Name: Chinese bird hunting spider   Taxonomy ID: not available   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Selenocosmia hainana

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):
K27A Hainantoxin-IV: ECLGFGKGCNPSNDQCCKSS NLVCSRAHRWCKYEIX

Data sets:
Data typeCount
1H chemical shifts218

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1Hainantoxin-IV1

Entities:

Entity 1, Hainantoxin-IV 36 residues - Formula weight is not available

1   GLUCYSLEUGLYPHEGLYLYSGLYCYSASN
2   PROSERASNASPGLNCYSCYSLYSSERSER
3   ASNLEUVALCYSSERARGALAHISARGTRP
4   CYSLYSTYRGLUILENH2

Samples:

sample_1: K27A Hainantoxin-IV 5.0 mM; deuterium acetic acid BU 20 mM; H2O 90%; D2O 10%

sample_cond_1: ionic strength: 20 mM; pH: 4.00; pressure: 1 atm; temperature: 295 K

Experiments:

NameSampleSample stateSample conditions
NOESYsample_1not availablesample_cond_1
DQF-COSYsample_1not availablesample_cond_1
TOCSYsample_1not availablesample_cond_1

Software:

X-PLOR v3.851 - refinement

FELIX v98.0 - structure solution

NMR spectrometers:

  • BRUKER DRX 500 MHz

Related Database Links:

PDB
BMRB 5674
GB ADB56725 ADB56726 ADB56830
SP D2Y232 D2Y233 D2Y2D7