BMRB Entry 52321

Name: Poecitoxin-1a from Poecilotheria subfusca spider
Published: 2025-03-19

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PDB ID: 9ep7
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR52321
MolProbity Validation Chart

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NMR-STAR v3 text file.
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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:

Poecitoxin-1a from Poecilotheria subfusca spider

Deposition date:

2024-02-16

Original release date:

2025-03-19

Authors:

Kurz, Michael

Citation:

Citation: Goncalves, Tania; De Waard, Michel; Kurz, Michael; De Waard, Stephan; Sanson, Camille; Montnach, Jerome; Chesney, Francoise; Beroud, Remy; Servent, Denis; Partiseti, Michel; Chambard, Jean-Marie; Benoit, Evelyne. "Poecitoxin-1a from Poecilotheria subfusca spider, a new potent peptide blocker of the human Cav1.2 channel subtype" .

Assembly members:

Assembly members:
entity_1, polymer, 35 residues, Formula weight is not available

Natural source:

Natural source: Common Name: Poecilotheria subfusca Taxonomy ID: 2053140 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Poecilotheria subfusca

Experimental source:

Experimental source: Production method: purified from the natural source

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: ECRQMFGGCTKDSECCAHLG CRTKWPYYCAWDGTV

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
1H chemical shifts	220

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Poecitoxin-1a	1

Entities:

Entity 1, Poecitoxin-1a 35 residues - Formula weight is not available

1

GLU

CYS

ARG

GLN

MET

PHE

GLY

CYS

THR

2

LYS

ASP

SER

GLU

CYS

ALA

HIS

LEU

GLY

3

CYS

ARG

THR

LYS

TRP

PRO

TYR

CYS

ALA

4

TRP

ASP

GLY

THR

VAL

Samples:

sample_1: Poecitoxin-1a 1.25 mM; D2O, [U-100% 2H], 10%; H2O 90%; sodium acetate, [U-100% 2H], 100 mM

sample_conditions_1: ionic strength: 0.1 M; pH: 5.0; pressure: 1 atm; temperature: 307 K

Experiments:

Name	Sample	Sample state	Sample conditions
1D 1H	sample_1	isotropic	sample_conditions_1
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 DQF-COSY	sample_1	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_1

Software:

TOPSPIN - chemical shift assignment, structure solution

NMR spectrometers:

Bruker AVANCE III 700 MHz