BMRB Entry 18354

Name: High-resolution solution NMR structure of the rho-conotoxin TIA.
Published: 2012-04-30

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PDB ID: 2lr9
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR18354
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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:

High-resolution solution NMR structure of the rho-conotoxin TIA.

Deposition date:

2012-03-27

Original release date:

2012-04-30

Authors:

Rosengren, K. Johan; Lewis, Richard

Citation:

Citation: Ragnarsson, Lotten; Wang, Ching-I Anderson; Andersson, Asa; Fajarningsih, Dewi; Monks, Thea; Brust, Andreas; Rosengren, K. Johan; Lewis, Richard. "Conopeptide -TIA defines a new allosteric site on the extracellular surface of the 1B-adrenoceptor." J. Biol. Chem. 288, 1814-1827 (2013).
PubMed: 23184947

Assembly members:

Assembly members:
conotoxin_TIA, polymer, 19 residues, 2401.951 Da.

Natural source:

Natural source: Common Name: tulip cone Taxonomy ID: 6495 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Conus tulipa

Experimental source:

Experimental source: Production method: chemical synthesis Host organism: not applicable Vector: not applicable

Entity Sequences (FASTA):

Entity Sequences (FASTA):
conotoxin_TIA: FNWRCCLIPACRRNHKKFC

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
1H chemical shifts	141

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	conotoxin_TIA	1

Entities:

Entity 1, conotoxin_TIA 19 residues - 2401.951 Da.

1

PHE

ASN

TRP

ARG

CYS

LEU

ILE

PRO

ALA

2

CYS

ARG

ASN

HIS

LYS

PHE

CYS

Samples:

sample_1: conotoxin TIA 1 mg/ml; H2O 90%; D2O 10%

sample_conditions_1: ionic strength: 0 M; pH: 4.5; pressure: 1 atm; temperature: 298 K

Experiments:

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

Software:

TOPSPIN v2.1, Bruker Biospin - collection, processing

XEASY, Bartels et al. - data analysis, peak picking

CYANA v3.0, Guntert, Mumenthaler and Wuthrich - structure solution

CNS v1.2, Brunger, Adams, Clore, Gros, Nilges and Read - refinement

NMR spectrometers:

Bruker Avance 600 MHz

PDB	1IEN 2LR9
GB	ADN79119
SP	P58811
AlphaFold	P58811