BMRB Entry 34212

Name: NMR structure of purotoxin-6
Published: 2018-12-14

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PDB ID: 6f61
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR34212
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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:

NMR structure of purotoxin-6

Deposition date:

2017-12-04

Original release date:

2018-12-14

Authors:

Nadezhdin, K.; Oparin, P.; Vassilevski, A.; Arseniev, A.; Grishin, E.

Citation:

Citation: Nadezhdin, K.. "NMR structure of purotoxin-6" .

Assembly members:

Assembly members:
entity_1, polymer, 31 residues, 3327.023 Da.

Natural source:

Natural source: Common Name: Thomisus onustus Taxonomy ID: 1872008 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Thomisus onustus

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli 'BL21-Gold(DE3)pLysS AG' Vector: pET-32b(+)

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: GYCATKGIKCNDIHCCSGLK CDSKRKVCVKG

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	78
1H chemical shifts	213

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 31 residues - 3327.023 Da.

1

GLY

TYR

CYS

ALA

THR

LYS

GLY

ILE

LYS

CYS

2

ASN

ASP

ILE

HIS

CYS

SER

GLY

LEU

LYS

3

CYS

ASP

SER

LYS

ARG

LYS

VAL

CYS

VAL

LYS

4

GLY

Samples:

sample_1: purotoxin-6 0.6 mM

sample_2: purotoxin-6 0.6 mM

sample_conditions_1: ionic strength: 0 mM; pH: 3.0; pressure: 1 atm; temperature: 303 K

sample_conditions_2: ionic strength: 0 mM; pH: 3.0 pD; pressure: 1 atm; temperature: 303 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D NOESY	sample_1	isotropic	sample_conditions_1
2D TOCSY	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_1	isotropic	sample_conditions_1
2D NOESY	sample_2	isotropic	sample_conditions_2

Software:

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

TOPSPIN, Bruker Biospin - collection, processing

CARA, Keller and Wuthrich - chemical shift assignment, peak picking

NMR spectrometers:

Bruker Avance 700 MHz