BMRB Entry 34837

Name: Solution structure of the peptide U11-MYRTX-Tb1a from the venom of the ant Tetramorium bicarinatum
Published: 2023-11-11

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PDB ID: 8pwt
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR34837
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:

Solution structure of the peptide U11-MYRTX-Tb1a from the venom of the ant Tetramorium bicarinatum

Deposition date:

2023-07-21

Original release date:

2023-11-11

Authors:

Jouvensal, L.; Paquet, F.; Loth, K.

Citation:

Citation: Barasse, V.; Jouvensal, L.; Boy, G.; Billet, A.; Ascoet, S.; Lefranc, B.; Leprince, J.; Dejean, A.; Lacotte, V.; Rahioui, I.; Sivignon, C.; Gaget, K.; Ribeiro Lopes, M.; Calevro, F.; Da Silva, P.; Loth, K.; Paquet, F.; Treilhou, M.; Bonnafe, E.; Touchard, A.. "Discovery of an Insect Neuroactive Helix Ring Peptide from Ant Venom." Toxins 15, 600-600 (2023).
PubMed: 37888631

Assembly members:

Assembly members:
entity_1, polymer, 34 residues, 4033.885 Da.

Natural source:

Natural source: Common Name: ants Taxonomy ID: 219812 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Tetramorium bicarinatum

Experimental source:

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: GKEKEKLKQCFKDMTLAAID YAKHKVEKHLFKCI

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	129
15N chemical shifts	33
1H chemical shifts	260

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 34 residues - 4033.885 Da.

1

GLY

LYS

GLU

LYS

GLU

LYS

LEU

LYS

GLN

CYS

2

PHE

LYS

ASP

MET

THR

LEU

ALA

ILE

ASP

3

TYR

ALA

LYS

HIS

LYS

VAL

GLU

LYS

HIS

LEU

4

PHE

LYS

CYS

ILE

Samples:

sample_1: U11 1.9 mM

sample_conditions_1: ionic strength: 0 Not defined; pH: 5.1; 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 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_1	isotropic	sample_conditions_1

Software:

TopSpin, Bruker Biospin - processing

CcpNmr Analysis, CCPN - data analysis

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

NMR spectrometers:

Bruker AVANCE III HD 700 MHz

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