BMRB Entry 30412

Name: Backbone cyclised conotoxin Vc1.1 mutant - D11A, E14A
Published: 2018-05-17

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PDB ID: 6cgx
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR30412
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:

Backbone cyclised conotoxin Vc1.1 mutant - D11A, E14A

Deposition date:

2018-02-21

Original release date:

2018-05-17

Authors:

Clark, R.

Citation:

Citation: Sadeghi, M.; Carstens, B.; Callaghan, B.; Daniel, J.; Tae, H.; O'Donnell, T.; Castro, J.; Brierley, S.; Adams, D.; Craik, D.; Clark, R.. "Structure-activity studies reveal the molecular basis for GABAB-receptor mediated inhibition of high voltage-activated calcium channels by alpha-conotoxin Vc1.1" ACS Chem. Biol. 13, 1577-1587 (2018).
PubMed: 29746088

Assembly members:

Assembly members:
entity_1, polymer, 22 residues, 2082.326 Da.

Natural source:

Natural source: Common Name: Queen Victoria cone Taxonomy ID: 319920 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Conus victoriae

Experimental source:

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: GCCSDPRCNYAHPAICGGAA GG

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1
spectral_peak_list
- spectral_peak_list_1

Data type	Count
13C chemical shifts	42
15N chemical shifts	20
1H chemical shifts	112

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 22 residues - 2082.326 Da.

1

GLY

CYS

SER

ASP

PRO

ARG

CYS

ASN

TYR

2

ALA

HIS

PRO

ALA

ILE

CYS

GLY

ALA

3

GLY

Samples:

sample_1: cVc1.1[D11A,E14A] 2 mg/mL

sample_conditions_1: ionic strength: 0 mM; pH: 3.5; 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 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_1	isotropic	sample_conditions_1

Software:

CYANA, Guntert, Mumenthaler and Wuthrich - structure calculation

Analysis, CCPN - chemical shift assignment

TOPSPIN, Bruker Biospin - collection

NMR spectrometers:

Bruker AvanceIII 600 MHz

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