BMRB Entry 30508

Name: NMR Solution Structure of vil14a
Published: 2018-08-31

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PDB ID: 6efe
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR30508
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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:

NMR Solution Structure of vil14a

Deposition date:

2018-08-16

Original release date:

2018-08-31

Authors:

Dovell, S.; Mari, F.; Moller, C.; Melaun, C.

Citation:

Citation: Moller, C.; Dovell, S.; Melaun, C.; Mari, F.. "Definition of the R-superfamily of conotoxins: Structural convergence of helix-loop-helix peptidic scaffolds." Peptides 107, 75-82 (2018).
PubMed: 30040981

Assembly members:

Assembly members:
entity_1, polymer, 27 residues, 2879.409 Da.

Natural source:

Natural source: Common Name: Villepin's cone Taxonomy ID: 257347 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Conus villepinii

Experimental source:

Experimental source: Production method: .

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: GGLGRCIYNCMNSGGGLSFI QCKTMCY

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
1H chemical shifts	142

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	entity_1	1

Entities:

Entity 1, entity_1 27 residues - 2879.409 Da.

1

GLY

LEU

GLY

ARG

CYS

ILE

TYR

ASN

CYS

2

MET

ASN

SER

GLY

LEU

SER

PHE

ILE

3

GLN

CYS

LYS

THR

MET

CYS

TYR

Samples:

sample_1: peptide 1 mM; TSP 0.11 mM

sample_conditions_1: pH: 3.6; pressure: 1 atm; temperature: 298 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

Software:

X-PLOR NIH v2.19, Schwieters, Kuszewski, Tjandra and Clore - refinement, structure calculation

VNMR, Varian - processing

NMR spectrometers:

Varian INOVA 500 MHz