BMRB Entry 30846

Name: Structural characterization of two b-KTx scorpion toxins. One of them blocks human KCNQ1 potassium channels
Published: 2021-12-31

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PDB ID: 7lgl
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR30846
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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:

Structural characterization of two b-KTx scorpion toxins. One of them blocks human KCNQ1 potassium channels

Deposition date:

2021-01-20

Original release date:

2021-12-31

Authors:

del Rio-Portilla, F.; Lopez-Giraldo, A.

Citation:

Citation: Titaux-Delgado, G.; Lopez-Giraldo, A.; Carrillo, E.; Cofas-Vargas, L.; Carranza-Gonzalez, L.; Lopez-Vera, E.; Garcia-Hernandez, E.; del Rio-Portilla, J.. "Beta-KTx14.3, a scorpion toxin, blocks the human potassium channel KCNQ1" Biochim. Biophys. Acta Proteins Proteom. 1871, 140906-140906 (2023).
PubMed: 36918120

Assembly members:

Assembly members:
entity_1, polymer, 47 residues, 5294.156 Da.

Natural source:

Natural source: Common Name: Brazilian scorpion Taxonomy ID: 309814 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Tityus costatus

Experimental source:

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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: KIKSGWERLTSESEYACPAI DKFCEDHCAAKKAVGKCDDF KCNCIKL

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1
spectral_peak_list
- spectral_peak_list_1

Data type	Count
1H chemical shifts	300

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 47 residues - 5294.156 Da.

1

LYS

ILE

LYS

SER

GLY

TRP

GLU

ARG

LEU

THR

2

SER

GLU

SER

GLU

TYR

ALA

CYS

PRO

ALA

ILE

3

ASP

LYS

PHE

CYS

GLU

ASP

HIS

CYS

ALA

4

LYS

ALA

VAL

GLY

LYS

CYS

ASP

PHE

5

LYS

CYS

ASN

CYS

ILE

LYS

LEU

Samples:

sample_1: TcoKIK 1.2 mM

sample_conditions_1: ionic strength: 0 Not defined; pH: 6.8; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_1
2D 1H-1H COSY	sample_1	isotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_1	isotropic	sample_conditions_1

Software:

Amber v16, Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman - refinement

CYANA v2.1, Guntert, Mumenthaler and Wuthrich - structure calculation

CARA v1.5, Keller and Wuthrich - chemical shift assignment, peak picking

NMR spectrometers:

Bruker AVANCE II 700 MHz