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 19700

Title: Spatial structure of P33A mutant of non-conventional toxin WTX from Naja kaouthia

Deposition date: 2013-12-23 Original release date: 2014-12-22

Authors: Paramonov, Alexander; Shenkarev, Zakhar; Lyukmanova, Ekaterina

Citation: Paramonov, Alexander; Shenkarev, Zakhar; Lyukmanova, Ekaterina. "Interaction of Weak Toxin from Naja kaouthia with Muscarinic Acetylcholine Receptors: Mutagenesis, NMR and Modeling Study"  To be Published ., .-..

Assembly members:
WTX[P33A], polymer, 66 residues, 7742.275 Da.

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

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

Entity Sequences (FASTA):
WTX[P33A]: MLTCLNCPEMFCGKFQICRN GEKICFKKLHQRRALSWRYI RGCADTCPVGKPYEMIECCS TDKCNR

Data sets:
Data typeCount
15N chemical shifts74
1H chemical shifts460

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1P33A mutant of non-conventional toxin WTX1

Entities:

Entity 1, P33A mutant of non-conventional toxin WTX 66 residues - 7742.275 Da.

Met residue at the N-terminus is non-native and were added due to bacterial expression.

1   METLEUTHRCYSLEUASNCYSPROGLUMET
2   PHECYSGLYLYSPHEGLNILECYSARGASN
3   GLYGLULYSILECYSPHELYSLYSLEUHIS
4   GLNARGARGALALEUSERTRPARGTYRILE
5   ARGGLYCYSALAASPTHRCYSPROVALGLY
6   LYSPROTYRGLUMETILEGLUCYSCYSSER
7   THRASPLYSCYSASNARG

Samples:

sample_1: WTX[P33A], [U-99% 15N], 0.5 mM; H2O 95%; D2O, [U-100% 2H], 5%

sample_2: WTX[P33A], [U-99% 15N], 0.5 mM; D2O, [U-100% 2H], 100%

sample_conditions_1: ionic strength: 0.01 M; pH: 3.0; pressure: 1 atm; temperature: 313 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-15N TOCSYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_2isotropicsample_conditions_1
2D 1H-1H TOCSYsample_2isotropicsample_conditions_1
2D DQF-COSYsample_2isotropicsample_conditions_1

Software:

CYANA v2.1, Guntert, Mumenthaler and Wuthrich - structure solution

NMR spectrometers:

  • Bruker Avance 700 MHz

Related Database Links:

UNP P25679
SP P82935

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