BMRB Entry 51264

Name: solution structure of conotoxin vt1.27
Published: 2022-01-17

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR51264

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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:

solution structure of conotoxin vt1.27

Deposition date:

2022-01-11

Original release date:

2022-01-17

Authors:

Zhao, Cong; Du, Weihong

Citation:

Citation: Zhao, Cong; Du, Weihong; Dai, Qiuyun. "Comparison of the solution structures of two -conotoxins with different intercysteine loop pattern" .

Assembly members:

Assembly members:
entity_1, polymer, 17 residues, 2047.79 Da.

Natural source:

Natural source: Common Name: Conus vitulinus Taxonomy ID: 42752 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Conus vitulinus

Experimental source:

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: NCCMFHTCPIDYSRFNC

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
1H chemical shifts	105

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	conotoxin vt1.27	1

Entities:

Entity 1, conotoxin vt1.27 17 residues - 2047.79 Da.

1

ASN

CYS

MET

PHE

HIS

THR

CYS

PRO

ILE

2

ASP

TYR

SER

ARG

PHE

ASN

CYS

Samples:

sample_1: conotoxin vt1.27 4 mM; t-butanol 0.01%

sample_2: conotoxin vt1.27 4 mM; t-butanol 0.01%

sample_conditions_1: pH: 3.0; pressure: 1 atm; temperature: 298 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-1H NOESY	sample_1	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_2	isotropic	sample_conditions_1

Software:

TOPSPIN v2.1 - processing

CYANA v2.1 - geometry optimization, structure solution

SPARKY v3.114 - chemical shift assignment, peak picking

NMR spectrometers:

Bruker DRX 400 MHz