BMRB Entry 17988

Name: Evolutionary diversification of Mesobuthus {alpha}-scorpion toxins affecting sodium channels.
Published: 2011-11-17

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PDB ID: 2lkb
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR17988
MolProbity Validation Chart

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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

Evolutionary diversification of Mesobuthus {alpha}-scorpion toxins affecting sodium channels.

Deposition date:

2011-10-09

Original release date:

2011-11-17

Authors:

Zhu, Shunyi; Peigneur, Steve; Gao, Bin; Lu, Xiuxiu; Cao, Chunyang; Tytgat, Jan

Citation:

Citation: Zhu, Shunyi; Peigneur, Steve; Gao, Bin; Lu, Xiuxiu; Cao, Chunyang; Tytgat, Jan. "Evolutionary Diversification of Mesobuthus -Scorpion Toxins Affecting Sodium Channels." Mol. Cell Proteomics 11, .-. (2012).
PubMed: 21969612

Assembly members:

Assembly members:
entity, polymer, 66 residues, 7187.264 Da.

Natural source:

Natural source: Common Name: scorpions Taxonomy ID: 34646 Superkingdom: Metazoa Kingdom: Mesobuthus Genus/species: eupeus not available

Experimental source:

Experimental source: Production method: purified from the natural source

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity: ARDAYIAKPHNCVYECFDAF SSYCNGVCTKNGAKSGYCQI LGTYGNGCWCIALPDNVPIR IPGKCH

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
1H chemical shifts	422

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Mesobuthus {alpha}-scorpion toxins affecting sodium channels	1

Entities:

Entity 1, Mesobuthus {alpha}-scorpion toxins affecting sodium channels 66 residues - 7187.264 Da.

1

ALA

ARG

ASP

ALA

TYR

ILE

ALA

LYS

PRO

HIS

2

ASN

CYS

VAL

TYR

GLU

CYS

PHE

ASP

ALA

PHE

3

SER

TYR

CYS

ASN

GLY

VAL

CYS

THR

LYS

4

ASN

GLY

ALA

LYS

SER

GLY

TYR

CYS

GLN

ILE

5

LEU

GLY

THR

TYR

GLY

ASN

GLY

CYS

TRP

CYS

6

ILE

ALA

LEU

PRO

ASP

ASN

VAL

PRO

ILE

ARG

7

ILE

PRO

GLY

LYS

CYS

HIS

Samples:

sample_1: sodium phosphate 50 mM; H2O 90%; D2O 90%; entity 1 mM

sample_conditions_1: ionic strength: 0.05 M; pH: 4.0; pressure: 1 atm; temperature: 298 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

Software:

X-PLOR NIH, Brunger - refinement

NMR spectrometers:

Varian INOVA 600 MHz

PDB	2LKB
GB	ABR21068 ADF49571 ADF49572 ADF49573 ADT82852
SP	P86404 P86405
AlphaFold	P86404 P86405