BMRB Entry 30424

Name: LyeTxI-b, a synthetic peptide derived from Lycosa erythrognatha spider venom, shows potent antibiotic activity, in vitro and in vivo
Published: 2018-05-24

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PDB ID: 6cl3
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR30424
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:

LyeTxI-b, a synthetic peptide derived from Lycosa erythrognatha spider venom, shows potent antibiotic activity, in vitro and in vivo

Deposition date:

2018-03-01

Original release date:

2018-05-24

Authors:

de Lima, M.; dos Reis, P.; Resende, J.; Verly, R.

Citation:

Citation: Reis, Pablo; Boff, Daiane; Verly, Rodrigo; Melo-Braga, Marcella; Cortes, Maria; Santos, Daniel; Pimenta, Adriano; Amaral, Flavio; Resende, Jarbas; de Lima, Maria. "LyeTxI-b, a Synthetic Peptide Derived From Lycosa erythrognatha Spider Venom, Shows Potent Antibiotic Activity in Vitro and in Vivo" Front. Microbiol. 9, 667-667 (2018).
PubMed: 29681894

Assembly members:

Assembly members:
entity_1, polymer, 26 residues, 2725.407 Da.

Natural source:

Natural source: Common Name: Spider Taxonomy ID: 332789 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Lycosa erythrognatha

Experimental source:

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: XIWLTALKFLGKNLGKLAKQ QLAKLX

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	75
15N chemical shifts	29
1H chemical shifts	170

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 26 residues - 2725.407 Da.

1

ACE

ILE

TRP

LEU

THR

ALA

LEU

LYS

PHE

LEU

2

GLY

LYS

ASN

LEU

GLY

LYS

LEU

ALA

LYS

GLN

3

GLN

LEU

ALA

LYS

LEU

NH2

Samples:

sample_1: LyeTxI-b 2 mM; phosphate buffer 20 mM; DSS 1 mM

sample_conditions_1: pH: 7.0; pressure: 1 atm; temperature: 293 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-13C HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-15N HMQC	sample_1	isotropic	sample_conditions_1

Software:

NMRView, Johnson, One Moon Scientific - chemical shift assignment

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

TOPSPIN, Bruker Biospin - collection

X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - refinement, structure calculation

Molmol, Koradi, Billeter and Wuthrich - data analysis

TALOS, Cornilescu, Delaglio and Bax - structure calculation

NMR spectrometers:

Bruker Avance III 600 600.043 MHz

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