BMRB Entry 19990

Name: ShK toxin at pH 5.4 and 7.0
Published: 2018-02-28

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR19990

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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:

ShK toxin at pH 5.4 and 7.0

Deposition date:

2014-05-27

Original release date:

2018-02-28

Authors:

Sher, Inbal; Chang, Shih Chieh; Li, Ying; Chhabra, Sandeep; Palmer, Arthur; Norton, Ray

Citation:

Citation: Sher, Inbal; Chang, Shih Chieh; Li, Ying; Chhabra, Sandeep; Palmer, Arthur; Norton, Ray; Chill, Jordan. "Conformational flexibility in the binding surface of the potassium channel blocker ShK" Chembiochem 15, 2402-2410 (2014).
PubMed: 25236806

Assembly members:

Assembly members:
ShK, polymer, 35 residues, Formula weight is not available

Natural source:

Natural source: Common Name: sea anemone Taxonomy ID: 6123 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Stichodactyla heliantus

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET-32a

Entity Sequences (FASTA):

Entity Sequences (FASTA):
ShK: RSCIDTIPKSRCTAFQCKHS MKYRLSFCRKTCGTC

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1
- assigned_chem_shift_2

Data type	Count
13C chemical shifts	190
15N chemical shifts	59
1H chemical shifts	60

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	ShK	1

Entities:

Entity 1, ShK 35 residues - Formula weight is not available

1

ARG

SER

CYS

ILE

ASP

THR

ILE

PRO

LYS

SER

2

ARG

CYS

THR

ALA

PHE

GLN

CYS

LYS

HIS

SER

3

MET

LYS

TYR

ARG

LEU

SER

PHE

CYS

ARG

LYS

4

THR

CYS

GLY

THR

CYS

Samples:

sample_1: ShK, [U-100% 13C; U-100% 15N; U-80% 2H], 0.4 ± 0.05 mM; D2O, [U-2H], 7 ± 0.5 %; sodium chloride 10 ± 1 mM; potassium phosphate 10 ± 1 mM; H2O 93 ± 0.5 %

sample_2: ShK, [U-100% 13C; U-100% 15N; U-80% 2H], 0.4 ± 0.05 mM; D2O, [U-2H], 7 ± 0.5 %; sodium chloride 10 ± 1 mM; potassium phosphate 10 ± 1 mM; H2O 93 ± 0.5 %

sample_conditions_1: ionic strength: 20 mM; pH: 5.4; pressure: 1 atm; temperature: 293 K

sample_conditions_2: ionic strength: 35 mM; pH: 7.0; pressure: 1 atm; temperature: 293 K

Experiments:

Name	Sample	Sample state	Sample conditions
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_2	isotropic	sample_conditions_2
3D HNCA	sample_2	isotropic	sample_conditions_2
3D HNCACB	sample_2	isotropic	sample_conditions_2

Software:

TOPSPIN v3.2, Bruker Biospin - collection, data analysis, processing

NMR spectrometers:

Bruker DRX 700 MHz

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