BMRB Entry 19142

Name: Structure of a vertebrate toxin from the badge huntsman spider
Published: 2014-04-07

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PDB ID: 2m6j
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR19142
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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 of a vertebrate toxin from the badge huntsman spider

Deposition date:

2013-04-04

Original release date:

2014-04-07

Authors:

Brust, Andreas; Vetter, Irina; Mobli, Mehdi; King, Glenn; Fry, Bryan

Citation:

Citation: Brust, Andreas; Vetter, Irina; Mobli, Mehdi; King, Glenn; Fry, Bryan. "Structure of a novel vertebrate toxin from the badge huntsman spider" .

Assembly members:

Assembly members:
AbTx, polymer, 26 residues, 2708.276 Da.
entity_CAM, non-polymer, 152.233 Da.

Natural source:

Natural source: Common Name: badge huntsman spider Taxonomy ID: 663572 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Neosparassus diana

Experimental source:

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
AbTx: IKSCETFIVACDGGKACREV KCKTIX

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	64
15N chemical shifts	19
1H chemical shifts	177

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	entity_1	1
2	CAMPHOR	2

Entities:

Entity 1, entity_1 26 residues - 2708.276 Da.

1

ILE

LYS

SER

CYS

GLU

THR

PHE

ILE

VAL

ALA

2

CYS

ASP

GLY

LYS

ALA

CYS

ARG

GLU

VAL

3

LYS

CYS

LYS

THR

ILE

NH2

Entity 2, CAMPHOR - C10 H16 O - 152.233 Da.

1

CAM

Samples:

sample_1: AbTx 1 mM; CAMPHOR 1 mM

sample_conditions_1: pH: 6.0; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_1	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_1

Software:

No software information available

NMR spectrometers:

Bruker Avance 900 MHz