BMRB Entry 16140

Name: [Sec13,Sec14]-kappa-hexatoxin-Hv1c
Published: 2010-01-11

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR16140

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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:

[Sec13,Sec14]-kappa-hexatoxin-Hv1c

Deposition date:

2009-01-27

Original release date:

2010-01-11

Authors:

King, Glenn; Mobli, Mehdi

Citation:

Citation: Mobli, Mehdi; de Araujo, Aline Dantas; Lambert, Lynette; Pierens, Gregory; Windley, Monique; Nicholson, Graham; Alewood, Paul; King, Glenn. "Direct visualization of disulfide bonds through diselenide proxies using 77Se NMR spectroscopy." Angew. Chem. Int. Ed. Engl. 48, 9312-9314 (2009).
PubMed: 19890933

Assembly members:

Assembly members:
kappa-hexatoxin-Hv1c, polymer, 37 residues, Formula weight is not available

Natural source:

Natural source: Common Name: spider Taxonomy ID: 6904 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Hadronyche versuta

Experimental source:

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
kappa-hexatoxin-Hv1c: AICTGADRPCAAXXPCCPGT SCKAESNGVSYCRKDEP

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
1H chemical shifts	214

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Monomer	1

Entities:

Entity 1, Monomer 37 residues - Formula weight is not available

Residues 13 and 14 are selenocysteine

1

ALA

ILE

CYS

THR

GLY

ALA

ASP

ARG

PRO

CYS

2

ALA

SEC

PRO

CYS

PRO

GLY

THR

3

SER

CYS

LYS

ALA

GLU

SER

ASN

GLY

VAL

SER

4

TYR

CYS

ARG

LYS

ASP

GLU

PRO

Samples:

sample_1: kappa-hexatoxin-Hv1c 0.5 mM; H2O 93%; D2O 7%

sample_conditions_1: ionic strength: 0.01 M; pH: 4.1; pressure: 1 atm; temperature: 298 K

Experiments:

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

Software:

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

XEASY, Bartels et al. - chemical shift assignment

NMR spectrometers:

Bruker Avance 900 MHz