BMRB Entry 27384

Name: mu-PIIIA-6
Published: 2018-02-23

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR27384

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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:

mu-PIIIA-6

Deposition date:

2018-01-24

Original release date:

2018-02-23

Authors:

Tietze, Daniel; Tietze, Alesia; Heimer, Pascal; Imhof, Diana

Citation:

Citation: Heimer, Pascal; Tietze, Alesia; Baeuml, Charlotte; Resemann, Anja; Mayer, Franz; Suckau, Detlev; Ohlenschlaeger, Oliver; Tietze, Daniel; Imhof, Diana. "Conformational mu-Conotoxin PIIIA Isomers Revisited: Impact of Cysteine Pairing on Disulfide-Bond Assignment and Structure Elucidation" Anal. Chem. 90, 3321-3327 (2018).
PubMed: 29397705

Assembly members:

Assembly members:
conotoxin_muPIIIA-6, polymer, 23 residues, 2603.1 Da.

Natural source:

Natural source: Common Name: Conus purpurascens Taxonomy ID: 41690 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Conus purpurascens

Experimental source:

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
conotoxin_muPIIIA-6: XRLCCGFXKSCRSRQCKXHR CCX

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
1H chemical shifts	124

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	conotoxin_muPIIIA-6	1

Entities:

Entity 1, conotoxin_muPIIIA-6 23 residues - 2603.1 Da.

Residue 1: Pyrrolidone carboxylic acid Residues 8, 18: 4-hydroxyproline Residue 22: cysteine amide

1

PCA

ARG

LEU

CYS

GLY

PHE

HYP

LYS

SER

2

CYS

ARG

SER

ARG

GLN

CYS

LYS

HYP

HIS

ARG

3

CYS

NH2

Samples:

sample_1: conotoxin_muPIIIA-6 0.5 ± 0.2 mM

sample_conditions_1: ionic strength: 0 M; pH: 7.4; pressure: 1 atm; temperature: 293 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-1H NOESY	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

Software:

TOPSPIN v3.1, Bruker - collection

CCPNMR v2.4, CCPN - chemical shift assignment

Yasara, Yasara Biosciences GmbH - structure solution

NMR spectrometers:

Bruker Avance 700 MHz