BMRB Entry 34732

Name: Solution structure of Pi6, a low affinity blocking kappa-K+-channel peptide from the scorpion Pandinus imperator
Published: 2022-05-16

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PDB ID: 7zru
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR34732
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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 Pi6, a low affinity blocking kappa-K+-channel peptide from the scorpion Pandinus imperator

Deposition date:

2022-05-05

Original release date:

2022-05-16

Authors:

Delepierre, M.; Olamendi Portugal, T.; Possani, L.; Guijarro, J.

Citation:

Citation: Guijarro, J.. "Solution structure of Pi6, a low affinity blocking kappa-K+-channel peptide from the scorpion Pandinus imperator" Not Published ., .-..

Assembly members:

Assembly members:
entity_1, polymer, 28 residues, 3134.543 Da.

Natural source:

Natural source: Common Name: emperor scorpion Taxonomy ID: 55084 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Pandinus imperator

Experimental source:

Experimental source: Production method: .

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: VDACYEACMHHHMNSDDCIE ACKNPVPP

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
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	unit_1	1

Entities:

Entity 1, unit_1 28 residues - 3134.543 Da.

1

VAL

ASP

ALA

CYS

TYR

GLU

ALA

CYS

MET

HIS

2

HIS

MET

ASN

SER

ASP

CYS

ILE

GLU

3

ALA

CYS

LYS

ASN

PRO

VAL

PRO

Samples:

sample_1: pi6 0.19 mM

sample_conditions_1: ionic strength: 0 mM; pH: 4; pressure: 1 atm; temperature: 298.15 K

Experiments:

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

Software:

CNS, Brunger, Adams, Clore, Gros, Nilges and Read - structure calculation

ARIA, Linge, O'Donoghue and Nilges - structure calculation

CcpNmr Analysis v2.4.2, CCPN - chemical shift assignment, peak picking

TopSpin v4.1, Bruker Biospin - collection

NMR spectrometers:

Bruker AVANCE NEO 800 MHz