BMRB Entry 27485

Name: Chemical shift data of [P13A]PeIA
Published: 2018-09-25

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR27485

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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title: Chemical shift data of [P13A]PeIA PubMed: 30249616

Deposition date: 2018-05-17 Original release date: 2018-09-25

Authors: Harvey, Peta; Craik, David

Citation: Hone, Arik; Talley, Todd; Bobango, Janet; Huidobro Melo, Cesar; Hararah, Fuaad; Gajewiak, Joanna; Christensen, Sean; Harvey, Peta; Craik, David; McIntosh, J Michael. "Molecular determinants of alpha-conotoxin potency for inhibition of human and rat alpha6beta4 nicotinic acetylcholine receptors" J. Biol. Chem. 293, 17838-17852 (2018).

Assembly members:
[P13A]PeIA, polymer, 17 residues, Formula weight is not available

Natural source: Common Name: not available Taxonomy ID: not available Superkingdom: not available Kingdom: not available Genus/species: not available not available

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):
[P13A]PeIA: GCCSHPACSVNHAELCX

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
15N chemical shifts	15
1H chemical shifts	89

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	[P13A]PeIA	1

Entities:

Entity 1, [P13A]PeIA 17 residues - Formula weight is not available

1

GLY

CYS

SER

HIS

PRO

ALA

CYS

SER

VAL

2

ASN

HIS

ALA

GLU

LEU

CYS

NH2

Samples:

sample_1: [P13A]PeIA 1.0 mM; DSS 1.0 mM

sample_conditions_1: 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 1H-15N HSQC	sample_1	isotropic	sample_conditions_1

Software:

CcpNmr_Analysis v2.4.1, CCPN - chemical shift assignment

NMR spectrometers:

Bruker Avance 600 MHz

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