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 19493

Title: NMR structure of purotoxin-2 in water

Authors: Nadezhdin, Kirill; Arseniev, Alexander; Vassilevski, Alexander; Oparin, Peter; Grishin, Evgeny

Citation: Nadezhdin, Kirill; Arseniev, Alexander; Vassilevski, Alexander; Oparin, Peter; Grishin, Evgeny. "NMR structure of purotoxin-2 in water"  Not known ., .-..

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

Natural source:   Common Name: Lycosa kazakhstanicus   Taxonomy ID: 420151   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Lycosa kazakhstanicus

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

Entity Sequences (FASTA):
entity: AKACTPLLHDCSHDRHSCCR GDMFKYVCDCFYPEGEDKTE VCSCQQPKSHKIAEKIIDKA KTTL

Data sets:
Data typeCount
1H chemical shifts393

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 1 mM

sample_2: entity 1 mM

sample_conditions_1: temperature: 303 K; pH: 3.3; pressure: 1 atm; ionic strength: 0 M

Experiments:

NameSampleSample stateSample conditions
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_2isotropicsample_conditions_1
2D DQF-COSYsample_1isotropicsample_conditions_1
2D DQF-COSYsample_2isotropicsample_conditions_1
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-1H TOCSYsample_2isotropicsample_conditions_1

Software:

TOPSPIN v2.1, Bruker Biospin - collection, processing, data analysis

CYANA, Guntert, Mumenthaler and Wuthrich - structure solution

Molmol, Koradi, Billeter and Wuthrich - structure visualization

TALOS-N, Yang Shen, and Ad Bax - angles constrains prediction, refinement, data analysis

CARA v1.8, Keller, R - chemical shift assignment, peak picking, data analysis

NMR spectrometers:

  • Bruker Avance 700 MHz

Related Database Links:

PDB
SP B3EWH0