BMRB Entry 27433

Name: Double knot toxin (DkTx)
Published: 2019-03-18

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PDB ID: 6cuc
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR27433
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:

Double knot toxin (DkTx)

Deposition date:

2018-03-25

Original release date:

2019-03-18

Authors:

Ramanujam, Venkatraman; Mobli, Mehdi

Citation:

Citation: Ramanujam, Venkatraman; Crawford, Theo; Cristofori-Armstrong, Ben; Deuis, Jennifer; Jia, Xinying; Maxwell, Michael; Jami, Sina; Ma, Linlin; Vetter, Irina; Mobli, Mehdi. "Structural Basis of the Bivalency of the TRPV1 Agonist DkTx" Angew Chem Int Ed Engl 63, e202314621-e202314621 (2024).
PubMed: 37953402

Assembly members:

Assembly members:
Double_knot_toxin, polymer, 78 residues, Formula weight is not available

Natural source:

Natural source: Common Name: Chinese earth tiger Taxonomy ID: 29017 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Ornithoctonus huwena

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: Intein harbouring vectors

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Double_knot_toxin: GDCAKEGEVCSWGKKCCDLD NFYCPMEFIPHCKKYKPYVP VTTSFNCAKEGEVCGWGSKC CHGLDCPLAFIPYCEKYR

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	347
15N chemical shifts	75
1H chemical shifts	519

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Double knot toxin	1

Entities:

Entity 1, Double knot toxin 78 residues - Formula weight is not available

1

GLY

ASP

CYS

ALA

LYS

GLU

GLY

GLU

VAL

CYS

2

SER

TRP

GLY

LYS

CYS

ASP

LEU

ASP

3

ASN

PHE

TYR

CYS

PRO

MET

GLU

PHE

ILE

PRO

4

HIS

CYS

LYS

TYR

LYS

PRO

TYR

VAL

PRO

5

VAL

THR

SER

PHE

ASN

CYS

ALA

LYS

GLU

6

GLY

GLU

VAL

CYS

GLY

TRP

GLY

SER

LYS

CYS

7

CYS

HIS

GLY

LEU

ASP

CYS

PRO

LEU

ALA

PHE

8

ILE

PRO

TYR

CYS

GLU

LYS

TYR

ARG

Samples:

sample_1: Double knot toxin, [U-13C; U-15N], 300 uM; sodium phosphate 20 mM; DSS 10 uM; sodium azide 0.02 % w/v

sample_conditions_1: pH: 5.8; pressure: 1 atm; temperature: 273 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D HBHA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HCCH-TOCSY	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY aliphatic	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY aromatic	sample_1	isotropic	sample_conditions_1

Software:

CCPNMR, CCPN - data analysis

NMR spectrometers:

Bruker Avance 900 MHz

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