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 30160

Title: Solution structure of a triple mutant of HwTx-IV - a potent blocker of Nav1.7

Authors: Rahnama, S.; Sharma, G.; Mobli, M.

Citation: Rahnama, S.; Sharma, G.; Mobli, M.. "Solution structure of a triple mutant of HwTx-IV - a potent blocker of Nav1.7"  To be published ., .-..

Assembly members:
entity_1, polymer, 35 residues, 3999.777 Da.

Natural source:   Common Name: Chinese bird spider   Taxonomy ID: 29017   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Haplopelma schmidti

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

Entity Sequences (FASTA):
entity_1: GCLGIFKACNPSNDQCCKSS KLVCSRKTRWCKWQI

Data sets:
Data typeCount
13C chemical shifts153
15N chemical shifts41
1H chemical shifts245

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11

Entities:

Entity 1, entity_1 35 residues - 3999.777 Da.

1   GLYCYSLEUGLYILEPHELYSALACYSASN
2   PROSERASNASPGLNCYSCYSLYSSERSER
3   LYSLEUVALCYSSERARGLYSTHRARGTRP
4   CYSLYSTRPGLNILE

Samples:

sample_1: D2O, [U-100% 2H], 5 ± 0.5 %; [m3]-HwTx-IV, [U-99% 13C; U-99% 15N], 400 ± 10 uM; sodium acetate 20 ± 1 mM

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
3D HNCOsample_1isotropicsample_conditions_1
3D HBHA(CO)NHsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aromaticsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aliphaticsample_1isotropicsample_conditions_1
2D 1H-15N HSQC - NOEsample_1isotropicsample_conditions_1
2D 1H-15N HSQC - T2 relaxationsample_1isotropicsample_conditions_1
2D 1H-15N HSQC - T1 relaxationsample_1isotropicsample_conditions_1
4D HC(CO)NHsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1

Software:

Analysis, CCPN - chemical shift assignment

CYANA, Guntert, Mumenthaler and Wuthrich - refinement

ROWLAND NMR TOOLKIT v3, JC Hoch, AS Stern; University of Connecticut, Health Centre - processing

TALOS vn, Cornilescu, Delaglio and Bax - data analysis

TOPSPIN, Bruker Biospin - collection

NMR spectrometers:

  • Bruker AvanceIII 900 MHz
  • Bruker AvanceIII 700 MHz

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