BMRB Entry 19384

Name: mu-PIIIA-1
Published: 2013-08-14

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR19384

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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-1

Deposition date:

2013-07-23

Original release date:

2013-08-14

Authors:

Ohlenschlager, Oliver; Tietze, Alesia; Imhof, Diana

Citation:

Citation: Tietze, Alesia; Tietze, Daniel; Ohlenschlager, Oliver; Leipold, Enrico; Ullrich, Florian; Kuhl, Toni; Mischo, Andre; Buntkowsky, Gert; Gorlach, Matthias; Heinemann, Stefan; Imhof, Diana. "Structurally diverse-conotoxin PIIIA isomers block sodium channel NaV 1.4" Angew. Chem. Int. Ed. Engl. 51, 4058-4061 (2012).
PubMed: 22407516

Assembly members:

Assembly members:
conotoxin_muPIIIA-1, 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 Vector: n.a.

Entity Sequences (FASTA):

Entity Sequences (FASTA):
conotoxin_muPIIIA-1: XRLCCGFXKSCRSRQCKXHR CCX

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
1H chemical shifts	135

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	conotoxin muPIIIA-1	1

Entities:

Entity 1, conotoxin muPIIIA-1 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-1 1 mM; H2O 90%; D2O 10%

sample_conditions_1: pH: 7; pressure: 1 atm; temperature: 293 K

Experiments:

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

Software:

TOPSPIN, Bruker Biospin - collection

XEASY, Bartels et al. - chemical shift assignment, data analysis

CYANA, Guntert, Mumenthaler and Wuthrich - structure solution

OPAL, Luginbuhl, Guntert, Billeter and Wuthrich - refinement

NMR spectrometers:

Bruker Avance 750 MHz
Bruker Avance 600 MHz

UNIPROT	P58925
NCBI	110282950
BMRB	19385
PDB	1R9I
AlphaFold	P58925