BMRB Entry 34453

Name: Solution structure of MeuNaTxalpha-1 toxin from Mesobuthus Eupeus
Published: 2020-11-27

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PDB ID: 6thi
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR34453
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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:

Solution structure of MeuNaTxalpha-1 toxin from Mesobuthus Eupeus

Deposition date:

2019-11-20

Original release date:

2020-11-27

Authors:

Mineev, K.; Kuzmenkov, A.; Khusainov, G.; Arseniev, A.; Vassilevski, A.

Citation:

Citation: Mineev, K.; Kuzmenkov, A.; Khusainov, G.; Arseniev, A.; Vassilevski, A.. "Solution structure of MeuNaTxalpha-1 toxin from Mesobuthus Eupeus" .

Assembly members:

Assembly members:
entity_1, polymer, 64 residues, 7196.148 Da.

Natural source:

Natural source: Common Name: Lesser Asian scorpion Taxonomy ID: 34648 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Mesobuthus eupeus

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli BL21(DE3)

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: VRDGYIADDKNCAYFCGRNA YCDEECKKKGAESGYCQWAG QYGNACWCYKLPDKVPIKVS GKCN

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	156
15N chemical shifts	65
1H chemical shifts	410

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	unit_1	1

Entities:

Entity 1, unit_1 64 residues - 7196.148 Da.

1

VAL

ARG

ASP

GLY

TYR

ILE

ALA

ASP

LYS

2

ASN

CYS

ALA

TYR

PHE

CYS

GLY

ARG

ASN

ALA

3

TYR

CYS

ASP

GLU

CYS

LYS

GLY

4

ALA

GLU

SER

GLY

TYR

CYS

GLN

TRP

ALA

GLY

5

GLN

TYR

GLY

ASN

ALA

CYS

TRP

CYS

TYR

LYS

6

LEU

PRO

ASP

LYS

VAL

PRO

ILE

LYS

VAL

SER

7

GLY

LYS

CYS

ASN

Samples:

sample_1: MeuNaTx1 2 ± 0.2 mM

sample_conditions_1: ionic strength: 30 mM; pH: 7; pressure: 1 atm; temperature: 303 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-1H TOCSY	sample_1	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_1
2D DQF-COSY	sample_1	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_1	isotropic	sample_conditions_1

Software:

CYANA v3.98, Guntert P. - structure calculation

CARA v1.9, Keller and Wuthrich - chemical shift assignment

TopSpin v3.5, Bruker Biospin - processing

NMR spectrometers:

Bruker AVANCE III 600 MHz

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks