BMRB Entry 30597

Name: Wasabi Receptor Toxin
Published: 2019-08-23

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PDB ID: 6ofa
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR30597
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:

Wasabi Receptor Toxin

Deposition date:

2019-03-28

Original release date:

2019-08-23

Authors:

Lin King, J.; Kelly, M.; Julius, D.

Citation:

Citation: Lin King, J.; Emrick, J.; Kelly, M.; Herzig, V.; King, G.; Medzihradszky, K.; Julius, D.. "A Cell-Penetrating Scorpion Toxin Enables Mode-Specific Modulation of TRPA1 and Pain" Cell 178, 1362-1374 (2019).
PubMed: 31447178

Assembly members:

Assembly members:
entity_1, polymer, 33 residues, 3862.348 Da.

Natural source:

Natural source: Common Name: Urodacus manicatus Taxonomy ID: 1330407 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Urodacus manicatus

Experimental source:

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: ASPQQAKYCYEQCNVNKVPF DQCYQMCSPLERS

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1
spectral_peak_list

Data type	Count
13C chemical shifts	107
1H chemical shifts	224

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 33 residues - 3862.348 Da.

1

ALA

SER

PRO

GLN

ALA

LYS

TYR

CYS

TYR

2

GLU

GLN

CYS

ASN

VAL

ASN

LYS

VAL

PRO

PHE

3

ASP

GLN

CYS

TYR

GLN

MET

CYS

SER

PRO

LEU

4

GLU

ARG

SER

Samples:

sample_1: Wasabi Receptor Toxin 300 uM

sample_2: Wasabi Receptor Toxin 300 uM

sample_conditions_1: ionic strength: 0 M; pH: 4; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-1H COSY	sample_1	isotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_1	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_1
2D 1H-1H COSY	sample_2	isotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_2	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_2	isotropic	sample_conditions_1
2D 1H-13C HSQC aliphatic	sample_2	isotropic	sample_conditions_1
2D 1H-13C HSQC aromatic	sample_2	isotropic	sample_conditions_1

Software:

ARIA, LINGE, O'DONOGHUE AND NILGES - refinement, structure calculation

CcpNmr Analysis, CCPN - chemical shift assignment, peak picking

TopSpin, Bruker Biospin - collection

PSVS, Bhattacharya and Montelione - data analysis

NMR spectrometers:

Bruker Avance 800 MHz