BMRB Entry 31063

Name: Solution structure of Pmu1a
Published: 2023-03-23

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PDB ID: 8fey
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR31063
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:

Solution structure of Pmu1a

Deposition date:

2022-12-07

Original release date:

2023-03-23

Authors:

Daly, N.; Wilson, D.

Citation:

Citation: Giribaldi, J.; Chemin, J.; Tuifua, M.; Deuis, J.; Mary, R.; Vetter, I.; Wilson, D.; Daly, N.; Schroeder, C.; Bourinet, E.; Dutertre, S.. "Pmu1a, a novel spider toxin with dual inhibitory activity at pain targets hNaV 1.7 and hCaV 3 voltage-gated channels" FEBS J. 290, 3688-3702 (2023).
PubMed: 36912793

Assembly members:

Assembly members:
entity_1, polymer, 36 residues, 4367.005 Da.

Natural source:

Natural source: Common Name: Pterinochilus murinus Taxonomy ID: 1184495 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Pterinochilus murinus

Experimental source:

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: ECRWFWGGCNNDADCCKHLE CKRKWPHICLWDGTFT

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	45
15N chemical shifts	33
1H chemical shifts	237

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	unit_1	1

Entities:

Entity 1, unit_1 36 residues - 4367.005 Da.

1

GLU

CYS

ARG

TRP

PHE

TRP

GLY

CYS

ASN

2

ASN

ASP

ALA

ASP

CYS

LYS

HIS

LEU

GLU

3

CYS

LYS

ARG

LYS

TRP

PRO

HIS

ILE

CYS

LEU

4

TRP

ASP

GLY

THR

PHE

THR

Samples:

sample_1: Pmu1a 0.5 mM

sample_conditions_1: ionic strength: 1 Not defined; pH: 4.5; pressure: 1 atm; temperature: 290 K

Experiments:

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

Software:

TopSpin, Bruker Biospin - collection

CcpNmr Analysis, CCPN - data analysis

CYANA, Guntert, Mumenthaler and Wuthrich - refinement, structure calculation

NMR spectrometers:

Bruker AVANCE 600 MHz

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