BMRB Entry 5527

Name: Three-Dimensional Solution Structure of Huwentoxin-Iv by 2D 1H-NMR
Published: 2003-04-23

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PDB ID: 1mb6
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR5527
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Nicholas Rego and David Koes
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

Three-Dimensional Solution Structure of Huwentoxin-Iv by 2D 1H-NMR

Deposition date:

2002-09-13

Original release date:

2003-04-23

Authors:

Peng, K.; Shu, Q.; Liang, S.

Citation:

Citation: Peng, K.; Shu, Q.; Liu, Z.; Liang, S.. "Function and Solution Structure of Huwentoxin-IV, a Potent Nueronal Tetrodotoxin (TTX)-sensitive Sodium Channel Antagonist from Chinese Bird Spider Selenocosmia huwena" J. Biol. Chem. 277, 47564-47571 (2002).
PubMed: 12228241

Assembly members:

Assembly members:
Huwentoxin-IV, polymer, 35 residues, Formula weight is not available

Natural source:

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

Experimental source:

Experimental source: Production method: .

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Huwentoxin-IV: ECLEIFKACNPSNDQCCKSS KLVCSRKTRWCKYQI

Data sets:

assigned_chemical_shifts
- chemical_shift_set_1

Data type	Count
1H chemical shifts	250

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	huwentoxin-iv	1

Entities:

Entity 1, huwentoxin-iv 35 residues - Formula weight is not available

1

GLU

CYS

LEU

GLU

ILE

PHE

LYS

ALA

CYS

ASN

2

PRO

SER

ASN

ASP

GLN

CYS

LYS

SER

3

LYS

LEU

VAL

CYS

SER

ARG

LYS

THR

ARG

TRP

4

CYS

LYS

TYR

GLN

ILE

Samples:

sample_1: Huwentoxin-IV 5 mM; phosphate buffer mM; H2O 90%; D2O 10%

sample_cond_1: ionic strength: 20 mM; pH: 4.50; pressure: 1 atm; temperature: 300.00 K

Experiments:

Name	Sample	Sample state	Sample conditions
NOESY	sample_1	not available	sample_cond_1
DQF-COSY	sample_1	not available	sample_cond_1
TOCSY	sample_1	not available	sample_cond_1
E-COSY	sample_1	not available	sample_cond_1

Software:

X-PLOR v3.851 - refinement

FELIX v98.0 - structure solution

NMR spectrometers:

BRUKER DMX 500 MHz

PDB	1MB6
GenBank	AAP33074 ABY77744 ABY77746
SWISS-PROT	P83303