BMRB Entry 25419

Name: NMR solution structure of -TRTX-Tp1a from the tarantula Thrixopelma pruriens
Published: 2015-06-01

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PDB ID: 2mxm
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR25419
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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:

NMR solution structure of -TRTX-Tp1a from the tarantula Thrixopelma pruriens

Deposition date:

2015-01-08

Original release date:

2015-06-01

Authors:

Rosengren, K. Johan

Citation:

Citation: Cardoso, Fernanda; Dekan, Zoltan; Rosengren, K. Johan; Erickson, Andelain; Vetter, Irina; Deuis, Jennifer; Herzig, Volker; Alewood, Paul; King, Glenn; Lewis, Richard. "Identification and Characterization of ProTx-III [ mu-TRTX-Tp1a], A New Voltage-Gated Sodium Channel Inhibitor from Venom of the Tarantula Thrixopelma Pruriens" Mol. Pharmacol. 88, 291-303 (2015).
PubMed: 25979003

Assembly members:

Assembly members:
entity, polymer, 33 residues, 3817.504 Da.

Natural source:

Natural source: Common Name: green velvet Taxonomy ID: 213387 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Thrixopelma pruriens

Experimental source:

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity: DCLKFGWKCNPRNDKCCSGL KCGSNHNWCKLHL

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
1H chemical shifts	225

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	entity	1

Entities:

Entity 1, entity 33 residues - 3817.504 Da.

1

ASP

CYS

LEU

LYS

PHE

GLY

TRP

LYS

CYS

ASN

2

PRO

ARG

ASN

ASP

LYS

CYS

SER

GLY

LEU

3

LYS

CYS

GLY

SER

ASN

HIS

ASN

TRP

CYS

LYS

4

LEU

HIS

LEU

Samples:

sample_1: entity 0.4 mg/mL

sample_conditions_1: ionic strength: 0 M; pH: 3.5; 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
2D DQF-COSY	sample_1	isotropic	sample_conditions_1

Software:

TOPSPIN v2.1, Bruker Biospin - collection, processing

CARA, Keller and Wuthrich - data analysis, peak picking

CYANA, Guntert, Mumenthaler and Wuthrich - structure solution

CNS v1.2, Brunger, Adams, Clore, Gros, Nilges and Read - refinement

NMR spectrometers:

Bruker AVANCE 600 MHz