BMRB Entry 15031

Name: Solution Structure of alpha-Conotoxin BuIA
Published: 2007-05-09

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR15031

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Nicholas Rego and David Koes
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title: Solution Structure of alpha-Conotoxin BuIA PubMed: 16979596

Deposition date: 2006-11-14 Original release date: 2007-05-09

Authors: Chi, Seung-Wook; Kim, Do-Hyoung; Olivera, Baldomera; McIntosh, J.; Han, Kyou-Hoon

Citation: Chi, Seung-Wook; Kim, Do-Hyoung; Olivera, Baldomera; McIntosh, J.; Han, Kyou-Hoon. "NMR structure determination of alpha-conotoxin BuIA, a novel neuronal nicotinic acetylcholine receptor antagonist with an unusual 4/4 disulfide scaffold." Biochem. Biophys. Res. Commun. 349, 1228-1234 (2006).

Assembly members:
Alpha-conotoxin_BuIA, polymer, 14 residues, Formula weight is not available

Natural source: Common Name: Conus bullatus Taxonomy ID: 89438 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Conus bullatus

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):
Alpha-conotoxin_BuIA: GCCSTPPCAVLYCX

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1
coupling_constants
- coupling_constant_list_1

Data type	Count
1H chemical shifts	70
coupling constants	8

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Alpha-conotoxin BuIA	1

Entities:

Entity 1, Alpha-conotoxin BuIA 14 residues - Formula weight is not available

1

GLY

CYS

SER

THR

PRO

CYS

ALA

VAL

2

LEU

TYR

CYS

NH2

Samples:

sample_1: Alpha-conotoxin BuIA, none, 5 mM; H2O, none, 90%; D2O, none, 10%

sample_conditions_1: ionic strength: 0 mM; pH: 3.04; pressure: 1 atm; temperature: 278 K

Experiments:

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

Software:

VNMR, Varian - collection

NMRPipe, F Delaglio, S Grzesiek, GW Vuister, G Zhu, J Pfeifer and A Bax - processing

CNS, A Brunger, P Adams, M Clore, P Gros, M Nilges and R Read - refinement

NMR spectrometers:

Varian INOVA 600 MHz