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 27877

Title: Inseparable mixture of cytotoxins 2 and 3 Naja kaouthia in major and minor forms

Deposition date: 2019-04-15 Original release date: 2021-05-28

Authors: Dubinnyi, Maxim; Dubovskii, Peter

Citation: Dubovskii, Peter; Dubinnyi, Maxim. "Inseparable mixture of cytotoxins 2 and 3 Naja kaouthia in major and minor forms"  .

Assembly members:
CT3nk, polymer, 60 residues, Formula weight is not available
CT2nk, polymer, 60 residues, Formula weight is not available

Natural source:   Common Name: monocled cobra   Taxonomy ID: 8649   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Naja kaouthia

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

Entity Sequences (FASTA):
CT3nk: LKCNKLIPLAYKTCPAGKNL CYKMFMVSNKTVPVKRGCID ACPKNSLLVKYVCCNTDRCN
CT2nk: LKCNKLIPLAYKTCPAGKNL CYKMFMVSNKTVPVKRGCID VCPKNSLLVKYVCCNTDRCN

Data typeCount
13C chemical shifts441
15N chemical shifts123
1H chemical shifts1283

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1Cytotoxin 3 Naja kaouthia in minor form1
2Cytotoxin 2 Naja kaouthia in major form2
3Cytotoxin 2 Naja kaouthia in minor form2

Entities:

Entity 1, Cytotoxin 3 Naja kaouthia in minor form 60 residues - Formula weight is not available

1   LEULYSCYSASNLYSLEUILEPROLEUALA
2   TYRLYSTHRCYSPROALAGLYLYSASNLEU
3   CYSTYRLYSMETPHEMETVALSERASNLYS
4   THRVALPROVALLYSARGGLYCYSILEASP
5   ALACYSPROLYSASNSERLEULEUVALLYS
6   TYRVALCYSCYSASNTHRASPARGCYSASN

Entity 2, Cytotoxin 2 Naja kaouthia in major form 60 residues - Formula weight is not available

1   LEULYSCYSASNLYSLEUILEPROLEUALA
2   TYRLYSTHRCYSPROALAGLYLYSASNLEU
3   CYSTYRLYSMETPHEMETVALSERASNLYS
4   THRVALPROVALLYSARGGLYCYSILEASP
5   VALCYSPROLYSASNSERLEULEUVALLYS
6   TYRVALCYSCYSASNTHRASPARGCYSASN

Samples:

sample_1: CT3nk_minor 0.6 ± 0.1 mM; CT2nk_major 2 ± 0.3 mM; CT2nk_minor 0.4 ± 0.1 mM

sample_conditions_1: ionic strength: 0 M; pH: 4.0; pressure: 1 atm; temperature: 303 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D DQF-COSYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQC-TOCSYsample_1isotropicsample_conditions_1

Software:

Cara v1.8.4, Keller and Wuthrich - chemical shift assignment

TOPSPIN v3.0, Bruker Biospin - collection

NMR spectrometers:

  • Bruker Avance 600 MHz
  • Bruker Avance 700 MHz
  • Bruker Avance 800 MHz

Related Database Links:

BMRB 34392
PDB
UNP P01445

Download simulated HSQC data in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts