BMRB Entry 20107

Name: NMR structure of conotoxin ImI analogue
Published: 2009-11-24

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR20107

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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:

NMR structure of conotoxin ImI analogue

Deposition date:

2009-11-09

Original release date:

2009-11-24

Authors:

Clark, Richard; Armishaw, Chris

Citation:

Citation: Armishaw, Christopher; Singh, Narender; Medina-Franco, Jose; Clark, Richard; Scott, Krystle; Houghten, Richard; Jensen, Anders. "A synthetic combinatorial strategy for developing alpha-conotoxin analogs as potent alpha7 nicotinic acetylcholine receptor antagonists." J. Biol. Chem. 285, 1809-1821 (2010).
PubMed: 19901032

Assembly members:

Assembly members:
conotoxin ImI analogue, 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):
conotoxin ImI analogue: GCCSDPRCLYXC

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1
conformer_family_coord_set
- ensemble_coordinates

Data type	Count
1H chemical shifts	66

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	conotoxin ImI analogue	1

Entities:

Entity 1, conotoxin ImI analogue 12 residues - Formula weight is not available

residue 11 is an aminobutyric acid, C-terminus is amidated

1

GLY

CYS

SER

ASP

PRO

ARG

CYS

LEU

TYR

2

ABA

CYS

Samples:

sample_1: [A9L, W10Y, R11Aba]ImI 1 mM; H2O 90%; D2O 10%

sample_conditions_1: pH: 3.5; 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:

CNS v2.1, Brunger, Adams, Clore, Gros, Nilges and Read - structure solution

CYANA v2.0, Guntert, Mumenthaler and Wuthrich - structure solution

SPARKY, Goddard - chemical shift assignment

NMR spectrometers:

Bruker Avance 600 MHz