BMRB Entry 21007

Name: alpha-conotoxin ImI cystathionine 1-3
Published: 2011-10-27

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR21007

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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:

alpha-conotoxin ImI cystathionine 1-3

Deposition date:

2011-04-27

Original release date:

2011-10-27

Authors:

Dekan, Zoltan; Vetter, Irina; Daly, Norelle; Lewis, Richard; Alewood, Paul; Craik, David

Citation:

Citation: Dekan, Zoltan; Vetter, Irina; Daly, Norelle; Craik, David; Lewis, Richard; Alewood, Paul. "Alpha-Conotoxin ImI Incorporating Stable Cystathionine Bridges Maintains Full Potency and Identical Three-Dimensional Structure" J. Am. Chem. Soc. 133, 15866-15869 (2011).
PubMed: 21899353

Assembly members:

Assembly members:
alpha_conotoxin_ImI_Cystathionine_1-3, polymer, 12 residues, Formula weight is not available

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: recombinant technology

Entity Sequences (FASTA):

Entity Sequences (FASTA):
alpha_conotoxin_ImI_Cystathionine_1-3: GXCSDPRCAWRC

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1
conformer_family_coord_set
- ensemble_coordinates

Data type	Count
1H chemical shifts	60

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	alpha-conotoxin ImI Cystathionine 1-3	1

Entities:

Entity 1, alpha-conotoxin ImI Cystathionine 1-3 12 residues - Formula weight is not available

X=Cystathionine

1

GLY

CTT

CYS

SER

ASP

PRO

ARG

CYS

ALA

TRP

2

ARG

CYS

Samples:

sample_1: alpha conotoxin ImI Cystathionine 1-3 1 mM; H20 90%; D2O 10%

sample_conditions_1: temperature: 280 K; pH: 3

Experiments:

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

Software:

TOPSPIN, Bruker Biospin - collection

SPARKY, Goddard - chemical shift assignment

CYANA, Guntert, Mumenthaler and Wuthrich - structure solution

CNSSOLVE, Brunger, Adams, Clore, Gros, Nilges and Read - structure solution

NMR spectrometers:

Bruker Avance 600 MHz