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 25452

Title: Omega-Tbo-IT1 selective inhibitor of insect calcium channels isolated from Tibellus oblongus spider venom   PubMed: 26611444

Deposition date: 2015-01-23 Original release date: 2015-12-07

Authors: Altukhov, Dmitry; Bozin, Timur; Bocharov, Eduard; Kozlov, Sergey; Mikov, Alexander

Citation: Mikov, Alexander; Fedorova, Irina; Potapieva, Natalia; Maleeva, Ekaterina; Bocharov, Eduard; Bozin, Timur; Altukhov, Dmitry; Lipkin, Alexey; Kozlov, Sergey; Tikhonov, Denis; Grishin, Eugene. "omega-Tbo-IT1-New Inhibitor of Insect Calcium Channels Isolated from Spider Venom"  Sci. Rep. 5, 17232-17232 (2015).

Assembly members:
Omega-Tbo-IT1, polymer, 41 residues, 4348.176 Da.

Natural source:   Common Name: Slender Crab Spider   Taxonomy ID: 336685   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Tibellus oblongus

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

Entity Sequences (FASTA):
Omega-Tbo-IT1: CASKNERCGNALYGTKGPGC CNGKCICRTVPRKGVNSCRC M

Data sets:
Data typeCount
13C chemical shifts114
1H chemical shifts247

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1Omega-Tbo-IT11

Entities:

Entity 1, Omega-Tbo-IT1 41 residues - 4348.176 Da.

1   CYSALASERLYSASNGLUARGCYSGLYASN
2   ALALEUTYRGLYTHRLYSGLYPROGLYCYS
3   CYSASNGLYLYSCYSILECYSARGTHRVAL
4   PROARGLYSGLYVALASNSERCYSARGCYS
5   MET

Samples:

sample_H2O: Omega-Tbo-IT1 1.5 ± 0.2 mM; sodium phosphate buffer 20 mM; NaCl 30 mM; D2O 10%; H2O 90%

sample_D2O: Omega-Tbo-IT1 1.5 ± 0.2 mM; sodium phosphate buffer 20 mM; NaCl 30 mM; D2O 100%

sample_conditions_1: ionic strength: 0.06 M; pH: 5.8; pressure: 1 atm; temperature: 285 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H TOCSYsample_H2Oisotropicsample_conditions_1
2D 1H-1H NOESYsample_H2Oisotropicsample_conditions_1
2D 1H-13C HSQCsample_H2Oisotropicsample_conditions_1
2D DQF-COSYsample_D2Oisotropicsample_conditions_1

Software:

CYANA v3.0, Guntert, Mumenthaler and Wuthrich - structure solution

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - data analysis

ACME, Delaglio, Zhengrong and Bax - processing

Molmol, Koradi, Billeter and Wuthrich - processing

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

NMRDraw, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - data analysis

NMR spectrometers:

  • Varian Uniform NMR System 700 700 MHz

Related Database Links:

GB KP308197