BMRB Entry 25486

Title:
Purotoxin-2 NMR structure in water
Deposition date:
2015-02-12
Original release date:
2016-04-12
Authors:
Nadezhdin, Kirill; Vassilevski, Alexander; Oparin, Peter; Grishin, Evgeny; Arseniev, Alexander
Citation:

Citation: Oparin, Peter; Nadezhdin, Kirill; Berkut, Antonina; Arseniev, Alexander; Grishin, Eugene; Vassilevski, Alexander. "Structure of purotoxin-2 from wolf spider: modular design and membrane-assisted mode of action in arachnid toxins."  Biochem. J. 473, 3113-3126 (2016).
PubMed: 27412961

Assembly members:

Assembly members:
entity, polymer, 64 residues, 7278.426 Da.

Natural source:

Natural source:   Common Name: Wolf spiders   Taxonomy ID: 74999   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Alopecosa not available

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET32b

Entity Sequences (FASTA):

Data sets:
Data typeCount
15N chemical shifts41
1H chemical shifts41

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity1

Entities:

Entity 1, entity 64 residues - 7278.426 Da.

1   ALALYSALACYSTHRPROLEULEUHISASP
2   CYSSERHISASPARGHISSERCYSCYSARG
3   GLYASPMETPHELYSTYRVALCYSASPCYS
4   PHETYRPROGLUGLYGLUASPLYSTHRGLU
5   VALCYSSERCYSGLNGLNPROLYSSERHIS
6   LYSILEALAGLULYSILEILEASPLYSALA
7   LYSTHRTHRLEU

Samples:

sample_1: entity, [U-100% 15N], 1 mM; H2O 95%; D2O 5%

sample_conditions_1: pH: 3.3; pressure: 1 atm; temperature: 313 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D HNHAsample_1isotropicsample_conditions_1
3D HNHBsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aliphaticsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1

Software:

CYANA v3, Guntert, Mumenthaler and Wuthrich - refinement, structure solution

TOPSPIN, Bruker Biospin - collection, data analysis, processing

TALOS, Cornilescu, Delaglio and Bax - data analysis, refinement

CARA, Keller and Wuthrich - chemical shift assignment, data analysis, peak picking

NMR spectrometers:

  • Bruker Avance 800 MHz

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks