BMRB Entry 30411

Name: Solution NMR structure of JzTx-V, a Nav 1.7 inhibitory peptide
Published: 2018-04-30

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PDB ID: 6cgw
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR30411
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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 NMR structure of JzTx-V, a Nav 1.7 inhibitory peptide

Deposition date:

2018-02-21

Original release date:

2018-04-30

Authors:

Jordan, J.; Andrews, K.

Citation:

Citation: Moyer, B.; Murray, J.; Ligutti, J.; Andrews, K.; Favreau, P.; Jordan, J.; Lee, J.; Liu, D.; Long, J.; Sham, K.; Shi, L.; Stocklin, R.; Wu, B.; Yin, R.; Yu, V.; Zou, A.; Biswas, K.; Miranda, L.. "Pharmacological characterization of potent and selective NaV1.7 inhibitors engineered from Chilobrachys jingzhao tarantula venom peptide JzTx-V." PLoS ONE 13, e0196791-e0196791 (2018).
PubMed: 29723257

Assembly members:

Assembly members:
entity_1, polymer, 29 residues, 3617.363 Da.

Natural source:

Natural source: Common Name: Chinese earth tiger tarantula Taxonomy ID: 278060 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Chilobrachys guangxiensis

Experimental source:

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: YCQKWXWTCDSKRACCEGLR CKLWCRKEI

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1
spectral_peak_list
- spectral_peak_list_1

Data type	Count
1H chemical shifts	136

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 29 residues - 3617.363 Da.

1

TYR

CYS

GLN

LYS

TRP

NLE

TRP

THR

CYS

ASP

2

SER

LYS

ARG

ALA

CYS

GLU

GLY

LEU

ARG

3

CYS

LYS

LEU

TRP

CYS

ARG

LYS

GLU

ILE

Samples:

sample_1: JzTx-V 5 mg/mL; Sodium Phosphate 20 mM; Sodium Chloride 50 mM

sample_conditions_1: ionic strength: 70 mM; pH: 7.0; pressure: 760 Torr; 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
HMBC	sample_1	isotropic	sample_conditions_1

Software:

CYANA v3, Guntert, Mumenthaler and Wuthrich - structure calculation

SPARKY, Goddard - chemical shift assignment, peak picking

NMR spectrometers:

Bruker AvanceIII 500 MHz
Bruker AvanceIII 600 MHz