BMRB Entry 25804

Name: muO-conotoxin MfVIA
Published: 2016-04-04

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PDB ID: 2n7f
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR25804
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:

muO-conotoxin MfVIA

Deposition date:

2015-09-09

Original release date:

2016-04-04

Authors:

Schroeder, Christina; Mobli, Mehdi

Citation:

Citation: Deuis, Jennifer; Henriques, Sonia; Dekan, Zoltan; Inserra, Marco; Craik, David; Lewis, Richard; Alewood, Paul; Mobli, Mehdi; Schroeder, Christina; Vetter, Irina. "Development of a muO-conotoxin Analogue with Improved Lipid Membrane Interactions and Potency for the Analgesic Target NaV1.8" J. Biol. Chem. 291, 11829-11842 (2016).
PubMed: 27026701

Assembly members:

Assembly members:
entity, polymer, 32 residues, 3656.417 Da.

Natural source:

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

Experimental source:

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity: RDCQEKWEYCIVPILGFVYC CPGLICGPFVCV

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	98
15N chemical shifts	22
1H chemical shifts	221

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	entity	1

Entities:

Entity 1, entity 32 residues - 3656.417 Da.

1

ARG

ASP

CYS

GLN

GLU

LYS

TRP

GLU

TYR

CYS

2

ILE

VAL

PRO

ILE

LEU

GLY

PHE

VAL

TYR

CYS

3

CYS

PRO

GLY

LEU

ILE

CYS

GLY

PRO

PHE

VAL

4

CYS

VAL

Samples:

sample_1: MfVIA 10 mM; H2O 70%; CD3CN 30%

sample_conditions_1: pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
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 1H-1H NOESY	sample_1	isotropic	sample_conditions_1
3D 13C HSQC-NOESY	sample_1	isotropic	sample_conditions_1

Software:

CYANA v3.0, Guntert, Mumenthaler and Wuthrich - chemical shift assignment, chemical shift calculation, peak picking, structure solution

TOPSPIN, Bruker Biospin - collection, processing

CNS, Brunger, Adams, Clore, Gros, Nilges and Read - refinement, structure solution

XEASY, Bartels et al. - chemical shift assignment, chemical shift calculation, peak picking, structure solution

Molmol, Koradi, Billeter and Wuthrich - data analysis

NMR spectrometers:

Bruker Avance 900 MHz

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