BMRB Entry 30009

Name: Resonance assignments and NMR structure determination of tarantula toxin, F8A mutant of beta-TRTX-Pre1a
Published: 2017-02-03

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PDB ID: 5i1x
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR30009
MolProbity Validation Chart

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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:

Resonance assignments and NMR structure determination of tarantula toxin, F8A mutant of beta-TRTX-Pre1a

Deposition date:

2016-02-07

Original release date:

2017-02-03

Authors:

Chin, Y.K.-Y.; Wingerd, J.; Mobli, M.; Rash, L.

Citation:

Citation: Chin, Y.K.-Y.; Wingerd, J.; Mobli, M.; Rash, L.. "Resonance assignments and NMR structure determination of tarantula toxin, mu-TRTX-Pre1a" .

Assembly members:

Assembly members:
entity_1, polymer, 36 residues, 4253.925 Da.

Natural source:

Natural source: Common Name: spiders Taxonomy ID: 179873 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Psalmopoeus not available

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pLICC

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: SEDCLGWASRCSPKNDKCCP NYKCSSKDLWCKYKIW

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1
spectral_peak_list

Data type	Count
13C chemical shifts	161
15N chemical shifts	38
1H chemical shifts	242

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	entity_1	1

Entities:

Entity 1, entity_1 36 residues - 4253.925 Da.

1

SER

GLU

ASP

CYS

LEU

GLY

TRP

ALA

SER

ARG

2

CYS

SER

PRO

LYS

ASN

ASP

LYS

CYS

PRO

3

ASN

TYR

LYS

CYS

SER

LYS

ASP

LEU

TRP

4

CYS

LYS

TYR

LYS

ILE

TRP

Samples:

sample_1: D2O 5%; mu-TRTX-Pre1a, [U-99% 13C; U-99% 15N], 300 uM; sodium phosphate 10 mM

sample_conditions_1: ionic strength: 10 mM; pH: 6; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D HCCH TOCSY	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY aliphatic	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY aromatic	sample_1	isotropic	sample_conditions_1
3D HBHA(CO)NH	sample_1	isotropic	sample_conditions_1

Software:

CYANA, Guntert, Mumenthaler and Wuthrich - structure calculation

Rowland NMR Toolkit, Jeff Hoch - processing

TOPSPIN, Bruker Biospin - collection

Analysis, CCPN - chemical shift assignment, peak picking

NMR spectrometers:

Bruker AvanceII 900 MHz

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