BMRB Entry 31120

Name: Solution structure of toxin, U-RDTX-Pp19, from assassin bug Pristhesancus plagipennis
Published: 2024-05-23

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PDB ID: 8ung
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR31120
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 toxin, U-RDTX-Pp19, from assassin bug Pristhesancus plagipennis

Deposition date:

2023-10-18

Original release date:

2024-05-23

Authors:

Chin, Y.; Walker, A.; King, G.

Citation:

Citation: Walker, A.; Chin, Y.; Guo, S.; Jin, J.; Wilbrink, E.; Goudarzi, M.; Wirth, H.; Gordon, E.; Weirauch, C.; King, G.. "An insect trans-defensin with insecticidal activity from assassin bug venom" .

Assembly members:

Assembly members:
entity_1, polymer, 41 residues, 4440.098 Da.

Natural source:

Natural source: Common Name: Pristhesancus plagipennis Taxonomy ID: 1955184 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Pristhesancus plagipennis

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: GVCWDTGCQLNAWAVRGCAQ YGMRDVNMKSCSGGIIYTCC D

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1
spectral_peak_list
- spectral_peak_list_1

Data type	Count
13C chemical shifts	116
15N chemical shifts	47
1H chemical shifts	252

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 41 residues - 4440.098 Da.

1

GLY

VAL

CYS

TRP

ASP

THR

GLY

CYS

GLN

LEU

2

ASN

ALA

TRP

ALA

VAL

ARG

GLY

CYS

ALA

GLN

3

TYR

GLY

MET

ARG

ASP

VAL

ASN

MET

LYS

SER

4

CYS

SER

GLY

ILE

TYR

THR

CYS

5

ASP

Samples:

sample_1: Unlabelled pp19 1 mM; sodium phosphate 50 mM

sample_conditions_1: ionic strength: 50 mM; pH: 6; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-13C HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_1	isotropic	sample_conditions_1

Software:

CcpNmr Analysis, CCPN - chemical shift assignment, peak picking

CYANA, Guntert, Mumenthaler and Wuthrich - refinement, structure calculation

TopSpin, Bruker Biospin - collection, processing

TALOS-N, Cornilescu, Delaglio and Bax - geometry optimization

NMR spectrometers:

Bruker AVANCE III HD 600 MHz

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