BMRB Entry 25516

Name: Design of a Highly Stable Disulfide-Deleted Mutant of Analgesic Cyclic alpha-Conotoxin Vc1.1
Published: 2016-04-12

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PDB ID: 2n07
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR25516
MolProbity Validation Chart

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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:

Design of a Highly Stable Disulfide-Deleted Mutant of Analgesic Cyclic alpha-Conotoxin Vc1.1

Deposition date:

2015-03-04

Original release date:

2016-04-12

Authors:

Yu, Rilei; Seymour, Victoria; Berecki, G za; Jia, Xinying; Akcan, Muharrem; Adams, David; Kaas, Quentin; Craik, David

Citation:

Citation: Yu, Rilei; Seymour, Victoria; Berecki, G za; Jia, Xinying; Akcan, Muharrem; Adams, David; Kaas, Quentin; Craik, David. "Design of a Highly Stable Disulfide-Deleted Mutant of Analgesic Cyclic alpha-Conotoxin Vc1.1" Proc. Natl. Acad. Sci. U.S.A. ., .-..

Assembly members:

Assembly members:
entity, polymer, 22 residues, 2263.418 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: GHCSDPRFNYDHPEICGGAA GG

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	13
1H chemical shifts	116

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 22 residues - 2263.418 Da.

1

GLY

HIS

CYS

SER

ASP

PRO

ARG

PHE

ASN

TYR

2

ASP

HIS

PRO

GLU

ILE

CYS

GLY

ALA

3

GLY

Samples:

sample_1: cVc 1.1 mutant 1.7 mM; H2O 90%; D2O 10%

sample_conditions_1: pH: 4.5; pressure: 1 atm; temperature: 280 K

Experiments:

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

Software:

CYANA, Guntert, Mumenthaler and Wuthrich - structure solution

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

TOPSPIN, Bruker Biospin - collection, processing

TALOS, Cornilescu, Delaglio and Bax - data analysis

NMR spectrometers:

Bruker Avance 600 MHz