BMRB Entry 34771

Name: Solution structure of Lqq4 toxin from Leiurus quinquestriatus quinquestriatus
Published: 2023-09-23

Click here to enlarge.

PDB ID: 8bo0
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR34771
MolProbity Validation Chart

NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry

Nicholas Rego and David Koes
3Dmol.js: molecular visualization with WebGL
Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

Select model:

I am color blind

Download raw data. Direct link to this display. Help

Title:

Solution structure of Lqq4 toxin from Leiurus quinquestriatus quinquestriatus

Deposition date:

2022-11-14

Original release date:

2023-09-23

Authors:

Mineev, K.; Motov, V.; Vassilevski, A.; Chernykh, M.; Kuzmenkov, A.

Citation:

Citation: Mineev, K.. "Solution structure of Lqq4 toxin from Leiurus quinquestriatus quinquestriatus" .

Assembly members:

Assembly members:
entity_1, polymer, 65 residues, 7211.229 Da.

Natural source:

Natural source: Common Name: Egyptian scorpion Taxonomy ID: 6885 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Leiurus quinquestriatus

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli BL21(DE3)

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: GVRDAYIADDKNCVYTCGSN SYCNTECTKNGAESGYCQWL GKYGNACWCIKLPDKVPIRI PGKCR

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	263
15N chemical shifts	69
1H chemical shifts	431

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
Hide all

Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	unit_1	1

Entities:

Entity 1, unit_1 65 residues - 7211.229 Da.

1

GLY

VAL

ARG

ASP

ALA

TYR

ILE

ALA

ASP

2

LYS

ASN

CYS

VAL

TYR

THR

CYS

GLY

SER

ASN

3

SER

TYR

CYS

ASN

THR

GLU

CYS

THR

LYS

ASN

4

GLY

ALA

GLU

SER

GLY

TYR

CYS

GLN

TRP

LEU

5

GLY

LYS

TYR

GLY

ASN

ALA

CYS

TRP

CYS

ILE

6

LYS

LEU

PRO

ASP

LYS

VAL

PRO

ILE

ARG

ILE

7

PRO

GLY

LYS

CYS

ARG

Samples:

sample_1: Lqq4, [U-100% 13C; U-100% 15N], 0.5 mM; sodium azide 0.01 % w/w; sodium chloride 10 mM

sample_conditions_1: ionic strength: 10 mM; pH: 5.2; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
NOESY	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D HNHB	sample_1	isotropic	sample_conditions_1
3D HNHA	sample_1	isotropic	sample_conditions_1
3D HCCH-TOCSY	sample_1	isotropic	sample_conditions_1
3D 1H-15N TOCSY	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY aliphatic	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1

Software:

CYANA v3.98.13, Guntert, Mumenthaler and Wuthrich - structure calculation

CARA v1.9, Keller and Wuthrich - chemical shift assignment

TopSpin, Bruker Biospin - collection

qMDD, Orekhov - processing

NMR spectrometers:

Bruker AVANCE III 600 MHz
Bruker AVANCE III 800 MHz

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