BMRB Entry 21014

Name: solution structure of conotoxin lt14a
Published: 2011-11-07

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR21014

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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:

solution structure of conotoxin lt14a

Deposition date:

2011-08-20

Original release date:

2011-11-07

Authors:

Zhang, Bingbing; Huang, Feijuan; Du, Weihong

Citation:

Citation: Zhang, Bingbing; Huang, Feijuan; Du, Weihong. "Solution structure of a novel conotoxin with a distinctive loop spacing pattern" Amino Acids ., .-. (2011).
PubMed: 21968500

Assembly members:

Assembly members:
conotoxin lt14a, polymer, 14 residues, 1395.745 Da.

Natural source:

Natural source: Common Name: Conus litteratus Taxonomy ID: 89445 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Conus litteratus

Experimental source:

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
conotoxin lt14a: MCPPLCKPSCTNCX

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
1H chemical shifts	77

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	conotoxin lt14a	1

Entities:

Entity 1, conotoxin lt14a 14 residues - 1395.745 Da.

MCPPLCKPSCTNC(NH2)

1

MET

CYS

PRO

LEU

CYS

LYS

PRO

SER

CYS

2

THR

ASN

CYS

NH2

Samples:

sample_1: conotoxin lt14a 4 mM; TFA 0.01%; H2O 90%; D2O 10%

sample_2: conotoxin lt14a 4 mM; TFA 0.01%; D2O 100%

sample_conditions_1: pH: 3.0; temperature: 283 K

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
2D 1H-1H NOESY	sample_2	isotropic	sample_conditions_1

Software:

TOPSPIN v2.1, Bruker Biospin - processing

CYANA v2.1, Guntert, Mumenthaler and Wuthrich - geometry optimization, structure solution

SPARKY v3.0, Goddard - chemical shift assignment, peak picking

NMR spectrometers:

Bruker DRX 400 MHz