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 27086

Title: Heteronuclear chemical shifts of native cytotoxin-1 from N. oxiana   PubMed: 28749688

Authors: Dubinnyi, Maxim

Citation: Dubovskii, Peter; Dubinnyi, Maxim; Konshina, Anastasia; Kazakova, Ekaterina; Sorokoumova, Galina; Ilyasova, Tatyana; Shulepko, Mikhail; Chertkova, Rita; Lyukmanova, Ekaterina; Dolgikh, Dmitry; Arseniev, Alexander; Efremov, Roman. "Structural and Dynamic "Portraits" of Recombinant and Native Cytotoxin I from Naja oxiana: How Close Are They?"  Biochemistry 56, 4468-4477 (2017).

Assembly members:
cytotoxin-1, polymer, 60 residues, 6813.2 Da.

Natural source:   Common Name: Central Asian cobra   Taxonomy ID: 8657   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Naja oxiana

Experimental source:   Production method: purified from the natural source   Host organism: Naja oxiana

Entity Sequences (FASTA):
cytotoxin-1: LKCNKLVPIAYKTCPEGKNL CYKMFMMSDLTIPVKRGCID VCPKNSLLVKYVCCNTDRCN

Data sets:
Data typeCount
13C chemical shifts222
15N chemical shifts61
1H chemical shifts434

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1cytotoxin-1, major form1
2cytotoxin-1, minor form1

Entities:

Entity 1, cytotoxin-1, major form 60 residues - 6813.2 Da.

1   LEULYSCYSASNLYSLEUVALPROILEALA
2   TYRLYSTHRCYSPROGLUGLYLYSASNLEU
3   CYSTYRLYSMETPHEMETMETSERASPLEU
4   THRILEPROVALLYSARGGLYCYSILEASP
5   VALCYSPROLYSASNSERLEULEUVALLYS
6   TYRVALCYSCYSASNTHRASPARGCYSASN

Samples:

sample_1: cytotoxin-1 3 ± 0.1 mM; H2O 0.5 ± 0.01 mL; D2O, [U-99% 2H], 0.1 ± 0.01 mL; potassium chloride 50 ± 1 mM

sample_2: cytotoxin-1 3 ± 0.1 mM; D2O, [U-100% 2H], 0.6 ± 0.01 mL; potassium chloride 50 ± 1 mM

sample_conditions_1: ionic strength: 50 mM; pH: 6.1; pressure: 1 bar; temperature: 303 K

sample_conditions_2: ionic strength: 50 mM; pD: 6.1; temperature: 303 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_2isotropicsample_conditions_2
2D DQF-COSYsample_2isotropicsample_conditions_2
2D 1H-1H TOCSYsample_2isotropicsample_conditions_2
2D 1H-1H COSYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aliphaticsample_2isotropicsample_conditions_2
2D 1H-13C HSQC aromaticsample_2isotropicsample_conditions_2
2D 1H-15N HSQC NH2 onlysample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_2isotropicsample_conditions_2

Software:

TOPSPIN, Bruker Biospin - chemical shift calculation, collection, data analysis

NMR spectrometers:

  • Bruker Avance 700 MHz

Related Database Links:

UNP P01451