BMRB Entry 34268

Name: NMR structure of the scorpion toxin AmmTx3
Published: 2019-01-25

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PDB ID: 6ggz
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR34268
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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:

NMR structure of the scorpion toxin AmmTx3

Deposition date:

2018-05-04

Original release date:

2019-01-25

Authors:

Landon, C.; Meudal, H.

Citation:

Citation: Zoukimian, C.; Meudal, H.; De Waard, S.; Ouares, K.; Nicolas, S.; Canepari, M.; Beroud, R.; Landon, C.; De Waard, M.; Boturyn, D.. "Synthesis by native chemical ligation and characterization of the scorpion toxin AmmTx3." Bioorg. Med. Chem. 27, 247-253 (2019).
PubMed: 30529150

Assembly members:

Assembly members:
entity_1, polymer, 37 residues, 3834.563 Da.

Natural source:

Natural source: Common Name: Scorpion Taxonomy ID: 6860 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Androctonus mauritanicus

Experimental source:

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: XIETNKKCQGGSCASVCRKV IGVAAGKCINGRCVCYP

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
15N chemical shifts	34
1H chemical shifts	241

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	entity_1	1

Entities:

Entity 1, entity_1 37 residues - 3834.563 Da.

1

PCA

ILE

GLU

THR

ASN

LYS

CYS

GLN

GLY

2

GLY

SER

CYS

ALA

SER

VAL

CYS

ARG

LYS

VAL

3

ILE

GLY

VAL

ALA

GLY

LYS

CYS

ILE

ASN

4

GLY

ARG

CYS

VAL

CYS

TYR

PRO

Samples:

sample_1: AmmTx3 1.2 mM

sample_conditions_1: ionic strength: 0 mM; pH: 4.5; 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
15N Sofast HMQC	sample_1	isotropic	sample_conditions_1

Software:

TOPSPIN, Bruker Biospin - collection, processing

CcpNMR, CCPN - chemical shift assignment

ARIA, Linge, O'Donoghue and Nilges - refinement, structure calculation

NMR spectrometers:

Bruker AvanceIII 700 MHz

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