BMRB Entry 7330

Name: Solution Structure of BmKalphaIT01, an alpha-insect toxin from the Venom of the Chinese Scorpion Buthus martensi Karsch
Published: 2007-10-09

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PDB ID: 2e0h
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR7330
MolProbity Validation Chart

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Nicholas Rego and David Koes
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

Solution Structure of BmKalphaIT01, an alpha-insect toxin from the Venom of the Chinese Scorpion Buthus martensi Karsch

Deposition date:

2006-11-08

Original release date:

2007-10-09

Authors:

Tong, X.; Chen, X.; Wu, H.

Citation:

Citation: Tong, X.; Zhu, J.; Ma, Y.; Chen, X.; Wu, G.; He, F.; Cao, C.; Wu, H.. "Solution Structure of BmKalphaIT01, an alpha-insect toxin from the Venom of the Chinese Scorpion Buthus martensi Karsch" Biochemistry 46, 11322-11330 (2007).
PubMed: 17877370

Assembly members:

Assembly members:
Alpha-neurotoxin_TX12, polymer, 64 residues, Formula weight is not available

Natural source:

Natural source: Common Name: Chinese armor-tail scorpion Taxonomy ID: 34649 Superkingdom: not available Kingdom: Eukaryota Genus/species: Metazoa Mesobuthus

Experimental source:

Experimental source: Production method: recombinant technology

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Alpha-neurotoxin_TX12: VRDAYIAQNYNCVYHCARDA YCNELCTKNGAKSGSCPYLG EHKFACYCKDLPDNVPIRVP GKCH

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
1H chemical shifts	428

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Alpha-neurotoxin_TX12	1

Entities:

Entity 1, Alpha-neurotoxin_TX12 64 residues - Formula weight is not available

1

VAL

ARG

ASP

ALA

TYR

ILE

ALA

GLN

ASN

TYR

2

ASN

CYS

VAL

TYR

HIS

CYS

ALA

ARG

ASP

ALA

3

TYR

CYS

ASN

GLU

LEU

CYS

THR

LYS

ASN

GLY

4

ALA

LYS

SER

GLY

SER

CYS

PRO

TYR

LEU

GLY

5

GLU

HIS

LYS

PHE

ALA

CYS

TYR

CYS

LYS

ASP

6

LEU

PRO

ASP

ASN

VAL

PRO

ILE

ARG

VAL

PRO

7

GLY

LYS

CYS

HIS

Samples:

sample_1: Alpha-neurotoxin_TX12, none, 1.4 mM; phosphate buffer 20 mM; H2O 90%; D2O 10%

sample_2: Alpha-neurotoxin_TX12, none, 1.4 mM; phosphate buffer 20 mM; D2O 100%

sample_conditions_1: ionic strength: . .; pH: 4.9; pressure: 1 atm; temperature: 300 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D NOESY	sample_1	isotropic	sample_conditions_1
2D TOCSY	sample_1	isotropic	sample_conditions_1
DQF-COSY	sample_1	isotropic	sample_conditions_1
2D NOESY	sample_2	isotropic	sample_conditions_1
2D TOCSY	sample_2	isotropic	sample_conditions_1
2D TOCSY	sample_2	isotropic	sample_conditions_1

Software:

VNMR v6.1B, Carlisle, M., Steele, D., Miller, M. - collection, processing

XEASY v1994, Xia, T.-H., Bartel, C. - data analysis

AMBER v5.0, Kollman, P.A., Case, D., Merz, K., Cheatham, T., Simmerling, C., Pharmaceuticals, V. - refinement

NMR spectrometers:

Varian INOVA 600 MHz

PDB	1OMY 2E0H
GB	AAG39640 AAV88456 AAV88457
SP	Q9GQW3
AlphaFold	Q9GQW3