BMRB Entry 6067

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PDB ID: 1ryg
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR6067
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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:

Structure-Activity Relationships in a Sodium Channels Inhibitor Hainantoxin-Iv

Deposition date:

2004-01-08

Original release date:

2008-07-16

Authors:

Li, D.; Lu, S.; Gu, X.; Liang, S.

Citation:

Citation: Li, D.; Xiao, Y.; Xu, X.; Xong, X.; Lu, S.; Liu, Z.; Zhu, Q.; Wang, M.; Gu, X.; Liang, S.. "Structure-Activity Relationships of Hainantoxin-IV, structure determination of active and inactive sodium channel blockers" J. Biol. Chem. 279, 37734-37740 (2004).
PubMed: 15201273

Assembly members:

Assembly members:
K27A Hainantoxin-IV, polymer, 36 residues, Formula weight is not available

Natural source:

Natural source: Common Name: Chinese bird hunting spider Taxonomy ID: not available Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Selenocosmia hainana

Experimental source:

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
K27A Hainantoxin-IV: ECLGFGKGCNPSNDQCCKSS NLVCSRKHAWCKYEIX

Data sets:

assigned_chemical_shifts
- chemical_shift_set_1

Data type	Count
1H chemical shifts	219

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Hainantoxin-IV	1

Entities:

Entity 1, Hainantoxin-IV 36 residues - Formula weight is not available

1

GLU

CYS

LEU

GLY

PHE

GLY

LYS

GLY

CYS

ASN

2

PRO

SER

ASN

ASP

GLN

CYS

LYS

SER

3

ASN

LEU

VAL

CYS

SER

ARG

LYS

HIS

ALA

TRP

4

CYS

LYS

TYR

GLU

ILE

NH2

Samples:

sample_1: K27A Hainantoxin-IV 5.0 mM; deuterium acetic acid BU 20 mM; H2O 90%; D2O 10%

sample_cond_1: ionic strength: 20 mM; pH: 4.00; pressure: 1 atm; temperature: 295 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

Software:

X-PLOR v3.851 - refinement

FELIX v98.0 - processing

NMR spectrometers:

BRUKER DRX 500 MHz

BMRB	5674
PDB	1NIY 1RYG
GB	ADB56725 ADB56726 ADB56830
SP	D2Y232 D2Y233 D2Y2D7
AlphaFold	D2Y232 D2Y233 D2Y2D7