BMRB Entry 25452

Name: Omega-Tbo-IT1 selective inhibitor of insect calcium channels isolated from Tibellus oblongus spider venom
Published: 2015-12-07

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PDB ID: 2myh
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR25452
MolProbity Validation Chart

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Nicholas Rego and David Koes
3Dmol.js: molecular visualization with WebGL
Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

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

Deposition date:

2015-01-23

Original release date:

2015-12-07

Authors:

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

Citation:

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).
PubMed: 26611444

Assembly members:

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

Natural source:

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

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET-32-b(+)

Entity Sequences (FASTA):

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

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	114
1H chemical shifts	247

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Omega-Tbo-IT1	1

Entities:

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

1

CYS

ALA

SER

LYS

ASN

GLU

ARG

CYS

GLY

ASN

2

ALA

LEU

TYR

GLY

THR

LYS

GLY

PRO

GLY

CYS

3

CYS

ASN

GLY

LYS

CYS

ILE

CYS

ARG

THR

VAL

4

PRO

ARG

LYS

GLY

VAL

ASN

SER

CYS

ARG

CYS

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:

Name	Sample	Sample state	Sample conditions
2D 1H-1H TOCSY	sample_H2O	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_H2O	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_H2O	isotropic	sample_conditions_1
2D DQF-COSY	sample_D2O	isotropic	sample_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